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IOSR Journal of Applied Chemistry (IOSR-JAC)
e-ISSN: 2278-5736.Volume 6, Issue 4 (Nov. – Dec. 2013), PP 08-15
www.iosrjournals.org
www.iosrjournals.org 8 | Page
Simple Thinking Makes Chemistry Metabolic and Interesting - A
Review Article
Arijit Das
Ph.D., MACS (Invited,USA), FICS, FISC, FIAFS (Ind)
Department of Chemistry, Ramthakur College, Agartala, Tripura West, Tripura, India
Abstract: First of all I give my love to all the students who reside in ‘Chemistry Phobia zone’. In this short
article I shall try to share my simple thinking that I achieved during my last 16 years of journey in the route of
Chemical Education. Before starting my journey it was a big encounter for me to change the conventional
methods and makes chemistry easier and interesting to such student who belongs to Chemistry Paranoia Zone. I
believe that students are just like flowers and it is our duty to nourish them properly as a gardener. In my
infinitely small area of knowledge, I just try to innovate fourteen (14) teaching methodologies by including
thirty four (34) completely new formulae in the chemistry world which were followed by different eminent
writers in their books since last 90-95 years namely Sir G.Wilkinson, Prof. F. Albert Cotton, Prof. I.L.Finar,
Prof. R.T. Morrison, Prof. R.N. Boyd, Prof. Solomons and Prof. Fryhle, Prof. J.G. Smith etc..
Keywords: Hybridization, Bond-order, Acid radical, Bond-Distances, Spin Multiplicity, Aromatic and Anti
aromatic compound, Magnetic Moment, Open chain olefinic system, cyclic olefinic system, π and σ-bond,
double and single bond, number of carbon and hydrogen atoms.
I. Introduction
The conventional methods1-11
for determination of Hybridization, bond order of mono and diatomic
homo and hetero nuclear molecules or ions having total electrons (01-20) using M.O.T., bond-order of oxide
based acid radicals, ‘IUPAC nomenclature of spiro and bicyclo compounds, ‘spin multiplicity value
calculation’, ‘Aromatic and Anti-Aromatic behavior of Organic compunds’, ‘magnetic properties of homo and
hetero nuclear diatomic molecules and ions, ‘simultaneous equations as a tool in the spectrophotometric analysis
of two non-interacting substances in a binary mixture, prediction of Magnetic Moment of homo and hetero
nuclear mono and diatomic molecules or ions without MOT, calculation of the number of π-bonds, σ-bonds,
single and double bonds in aliphatic unsaturated open chain and cyclic olefinic hydrocarbons and alkyne system
etc. is time consuming. Keeping this in mind, I introduced some new innovative methods12-23
to make chemistry
easier and interesting. Here, I have tried to discuss few of them shortly.
II. Result And Discussion:
New Innovative Teaching and Learning Methodologies
A. Hybridization state determination (for sp, sp2
, sp3
, sp3
d, sp3
d2
, sp3
d3
hybridization) concept proposed by
Linus Pauling in 1931-1932 :
We Know that, Hybridization is nothing but the mixing of orbital’s in different ratio to form some newly
synthesized orbitals called hybrid orbitals. The mixing pattern is as follows:
s + p (1:1) - sp hybrid orbital ; s + p (1:2) - sp2
hybrid orbital ; s + p (1:3) - sp3
hybrid orbital
Formula for determination of hybridization state like sp, sp2
, sp3
followed the following method:
Power of the Hybridization state of the centre atom
= (Total no of σ bonds around each centre atom -1)
All single (-) bonds are σ bond, in double bond (=) there is one σ and 1π, in triple bond there is one σ and 2π. In
addition to these each lone pair (i.e.no of electrons in the outermost orbit which should not take part in bond
formation) and Co-ordinate bond can be treated as one σ bond.
Eg. In H3BO3 - B has 3σ bonds (3BPs but no LPs) and oxygen has 4σ bonds (2BPs & 2LPs) so, in this case
power of the hybridization state of B = 3-1 = 2 i.e. B is sp2
hybridized in H3BO3. on the other hand, power of the
hybridization state of O = 4-1= 3 i.e. hybridization state of O in H3BO3 is sp3
.
For determination of the hybridization state like sp3
d, sp3
d2
, sp3
d3
followed the following method:-
In case of sp3
d, sp3
d2
and sp3
d3
hybridization state there is a common term sp3
for which 04 sigma bonds are
responsible. So, in addition to 04 sigma bonds, for each additional sigma, added one d orbital gradually as
follows:-
5σ bonds = 4σ bonds + 01 additional σ bond = sp3
d hrbridization;
6σ bonds = 4σ bonds + 02 additional σ bonds = sp3
d2
hrbridization;
7σ bonds = 4σ bonds + 03 additional σ bonds = sp3
d3
hrbridization.
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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Eg. IF4
+
: I has 07 e-
s in its outermost shell, so, in this case, subtract one e-
from 07 i.e. 07-1= 06. So, out of 06
electrons, 04 electrons form 04 I-F bonds i.e. 04 sigma bonds and there is one LP. So, altogether there is 05 σ
bonds. So, 5σ bonds = 04 σ bonds + 01 additional σ bond = sp3
d hrbridization.
B. For Bond Order of mono and diatomic homo and hetero nuclear molecules or ions having (1-20)e-
s and
oxide based acid radicals without M.O.T. proposed by Friedrich Hund and Robert Mulliken in 1933 :-
Fig:-1 (B.O. vs number of electrons)
The graphical representation presented in Fig. 1 shows that bond-order gradually increases to 01 in the
range (0-02) electrons then it falls to zero in the range (02-04) electrons then it further rises to 01 for (04-06)
electrons and once again falls to zero for (06-08) electrons then again rises to 3 in the range (08-14) electrons
and then finally falls to zero for (14-20) electrons. For total no of electrons 2, 6 and 14, we use multiple
formulae, because they fall in the overlapping region in which they intersect with each other.
First of all we classify the molecules or ions into four (04) types based on the total no of electrons.
i) Molecules and ions having total no of electrons within the range (0-2).
In such case Bond order = n/2 ; [Where n = Total no of electrons]
Eg. H2 (Total e-
s = 02), Therefore B.O. = n/2 = 02/2 = 1
ii) Molecules and ions having total no of electrons within the range (2-6).
In such case Bond order = I 4- n I / 2 ;
[Where n = Total no of electrons, ‘I I’ indicates Mod function i.e. the value of bond order is always positive]
Eg. Li2
+
(5e-
s) Therefore B.O. = I 4-5 I / 2 = 1/2 = 0.5.
iii)Molecules and ions having total no of electrons within the range (6-14).
In such case Bond order = I 8-n I / 2
Eg: CO (Total e-
s = 06+08=14), Therefore B.O.= I 08-14 I / 2 = 3
iv)Molecules and ions having total no of electrons within the range (14-20).
In such case Bond order = (20-n) / 2 ; [Where n = Total no of electrons]
Eg. NO (Total e-
s = 15), Therefore B.O. = 20-15/2 = 2.5
C. Bond order of oxide based Acid Radicals:
In case of Acid Radicals
B.O.=Valency of one of the peripheral atom + (Charge on Acid Radical / Total number of
peripheral atoms)
Eg.
ClO4
-
; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -1, Total Number of
Peripheral atoms = 04), Therefore B.O. = 2 + (-1/4) = (8 – 1)/4 = 7/4 = 1.75
ClO3
-
; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -1, Total Number of
Peripheral atoms = 03), Therefore B.O. = 2 + (-1/3) = (6 – 1)/3 = 5/3 = 1.66
ClO2
-
; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -1, Total Number of
Peripheral atoms = 02), Therefore B.O. = 2 + (-1/2) = (4 – 1)/2 = 3/2 = 1.5
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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AsO4
3-
; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -3, Total Number of
Peripheral atoms = 04), Therefore B.O. = 2 + (-3/4) = (8 – 3)/4 = 5/4 = 1.25
AsO3
3-
; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -3, Total Number of
Peripheral atoms = 03), Therefore B.O. = 2 + (-3/3) = 1.0
Correlation among / between Literature values of bond-distances of some oxide based acid radicals with their
predicted bond order values:
Literature values of the Cl-O average bond lengths in ClO4
-
,ClO3
-
and ClO2
-
; As-O bond lengths in AsO4
3-
and
AsO3
3-
w.r.t. their Bond order suggest that with increasing bond-order M-O bond length (Where M = Cl, As
etc.) decreases which is tabulated below.
Table-1 (Correlation of some bond-distances with their predicted bond order values)
Oxide Based Acid Radicals Bond-Order Values Avg. M-O Bond-Distances
As per Literature (Å)
Remarks
ClO4
-
1.75 1.50
Increasing Bond-Order
decreases Bond Length
ClO3
-
1.6 1.57
ClO2
-
1.5 1.64
AsO4
3-
1.25 1.75
AsO3
3-
1.0 1.77
D. Magnetic Properties of homo and hetero nuclear diatomic molecules or ions without MOT:
The present study involves three new formulae by just manipulating the number of unpaired electrons (n)
using mod function (based on Applied Mathematics) and by means of these n values one can easily stumble the
magnetic moment values in Bohr-Magneton using spin only formula μs = √n(n+2) B.M., where B.M. = Bohr
Magneton = Unit of Magnetic Moment, n = number of unpaired electrons.
First of all we classify the molecules or ions depending on the total number of electrons present in them in
the following three (03) sets.
Set-1: Molecules or ions having (1-3)e-
s, (3-5)e-
s, (5-7)e-
s, (7-10)e-
s, (13-16)e-
s
Set-2: Molecules or ions having (10-13)e-
s and (16-19)e-
s
Set-3: Molecules or ions having 20 e-
s
Then for different set we have to use three different formulae to calculate the number of unpaired electrons
and thus magnetic moment (μs in B.M.) can be evaluated in the following way:
F-1(For Set-1) - for the determination of number of unpaired electrons (n) of molecules or ions having
total number of electrons (1-3), (3-5), (5-7), (7-10) and(13-16)e-
s:
In this case, the number of unpaired electrons n = [ I (ND - total e-
s) I ]
Here, ND = next digit i.e. digit next to minimum digit and ‘I I’ indicates Mod Function.
Eg:Molecules or ions having (1-3)e-
s, in this case ND = 2 because here minimum digit is 1.
Therefore, for He2
+
(3e-
s), the total number of electrons will be 3, ND = 2,
Hence, unpaired electron n = I (ND - total e-
s) I = I (2-3) I = 1
Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 1(1+2) BM = √3 BM = 1.73BM
For the molecules or ions containing (3-5)e-
s, (5-7)e-
s, (7-10)e-
s, and (13-16)e-
s the ND value will be 4, 6, 8 and
14 respectively.
Hence, the value of n = [ I (4-total e-
s) I ]; [ I (6- total e-
s) I ] [ I (8- total e-
s) I ] and
[ I (14- total e-
s) I ] respectively.
F-2(For Set-2) - for the determination of number of unpaired electrons (n) of molecules or ions having
total number of electrons (10-13) and (16-19):
In this case, the number of unpaired electrons n = [ I (PD - total e-
s) I ]
Here, PD = Penultimate electron digit (i.e. before last electron).
Eg: for C2
-
(13e-
s), the total number of electrons will be 13, PD = 12
Hence, unpaired electron n = I (12 - total e-
s) I = I (12-13) I = 1
Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 1(1+2) BM = √3 BM = 1.73BM
For F2 (18e-
s), the total number of electrons will be 18, PD = 18
Hence, unpaired electron n = I (18 - total e-
s) I = I (18-18) I = 0
Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 0(0+2) BM = 0 BM = Diamagnetic in nature.
F-3(For Set-3) - for the determination of number of unpaired electrons (n) of molecules or ions having
total number of electrons 20:
In this case, the number of unpaired electrons n = [ I (20 - total e-
s) I ]
Eg: for Ne2 (20e-
s), the total number of electrons will be 20,
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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Hence, unpaired electron n = I (20 - total e-
s) I = I (20-20) I = 0
Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 0(0+2) BM = 0 BM = Diamagnetic in nature.
Table:-2(Magnetic moments of homo and hetero nuclear diatomic molecules or ions)
Molecules or ions Total Number of
e-
s
n value
(no of unpaired
electrons)
Magnetic moment (μs)
in BM
Remarks
H2
+
1 1 1.73 Para magnetic
H2, He2
2+
2 0 0 Diamagnetic
H2
-
,He2
+
3 1 1.73 Para magnetic
He2, 4 0 0 Diamagnetic
Li2
+
,He2
-
5 1 1.73 Para magnetic
Li2, He2
2-
, Be2
2+
6 0 0 Diamagnetic
Be2
+
,Li2
-
7 1 1.73 Para magnetic
Be2,Li2
2-
8 0 0 Diamagnetic
Be2
-
,B2
+
9 1 1.73 Para magnetic
B2, Be2
2-
, HF 10 2 2.82 Para magnetic
B2
-
,C2
+
11 1 1.73 Para magnetic
C2,B2
2-
,N2
2+
, CN+
12 0 0 Diamagnetic
C2
-
,N2
+
13 1 1.73 Para magnetic
N2,CO,NO+
,C2
2-
,CN-
,O2
2+
14 0 0 Diamagnetic
N2
-
,NO,O2
+
15 1 1.73 Para magnetic
NO-
,O2 16 2 2.82 Para magnetic
O2
-
17 1 1.73 Para magnetic
F2,O2
2-
,HCl 18 0 0 Diamagnetic
F2
-
19 1 1.73 Para magnetic
Ne2 20 0 0 Diamagnetic
E. Evaluation of Spin Multiplicity value, first discovered by Friedrich Hund in 1925. :
The formula which is generally used for the prediction of spin multiplicity value is [(2S+1), where S =
Σs = total spin quantum no] is time consuming. To keep the matter in mind a new innovative method has to be
introduced for calculation of spin-multiplicity value in the easiest way by ignoring the calculation of total spin
quantum number (S = Σs).
First of all we should classify the species (atoms, molecules, ions or complexes) for which spin multiplicity
should be evaluated into three types based on the nature of alignment of unpaired electrons present in them.
i) Species having unpaired electrons in upward alignment (↑):
In this case, spin multiplicity = (n+1); where n = number of unpaired electrons.
Spin multiplicity = (n +1) = (1+1) = 2 (spin state = doublet); (2+1) = 3 (spin state = triplet) and (3 + 1) = 4 (spin
state = quartet) respectively.
↑↓ ↑ ↑
Spin multiplicity = (n +1) = (2 + 1) = 3 (in this case ignore paired electrons) (spin state = triplet) and (1 + 1) = 2
(spin state = doublet)
↑↓ ↑↓ ↑↓
Spin multiplicity = (n +1) = (0 + 1) = 1 (spin state = singlet)
ii) Species having unpaired electrons in downward alignment (↓):
In this case spin multiplicity = (-n+1)
Here (-ve) sign indicate downward arrow.
Spin multiplicity = (-n +1) = (-1 + 1) = 0; (-2 + 1) = -1 and (-3 + 1) = -2 respectively.
↑ ↑ ↑ ↑ ↑ ↑
↑↓ ↑↓ ↑
↓ ↓ ↓ ↓ ↓ ↓
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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↑↓ ↓ ↓
Spin multiplicity = (-n + 1) = (-2 + 1) = -1( ignore paired electrons) and (-1 + 1) = 0 respectively.
iii) Species having unpaired electrons in both upward and downward alignment :
In this case spin multiplicity = [(+n) + (-n) + 1]
where n = number of unpaired electrons in each alignment. Here, (+ve) sign and (–ve) sign indicate
upward and downward alignment respectively.
Here total no of unpaired electrons = 2 in which one having upward direction
(+1) and other having downward mode (-1).
Hence Spin multiplicity = [(+n) + (-n) +1] = [(+1) + (-1) + 1] = 1 (spin state = singlet)
Here the total no of unpaired electrons = 3 in which two unpaired electrons lie in
upward (+2) and one unpaired electrons lie in downward (-1) .
Hence Spin multiplicity = [(+n) + (-n) + 1] = [(+2) + (-1) + 1] = 2 (spin state = doublet)
Here the total no of unpaired electrons = 5 in which three unpaired
electrons lie upward (+3) and two unpaired electrons lie downward (-2) .
Hence Spin multiplicity = [(+n) + (-n) + 1] = [(+3) + (-2) +1] = 2 (spin state = doublet)
Table-3: spin multiplicity value and its corresponding spin state
Spin multiplicity value Spin state
1 Singlet
2 Doublet
3 Triplet
4 Quartet
5 Quintet
F. Identification of Aromatic and Anti-Aromatic nature of Organic Compounds without Huckel’s Rule of
Aromaticity, devised by Huckel in 1931 :
The present study will be a new innovative method involving two formulae by just manipulating the no of π
bonds within the ring system and delocalized electron pair (excluding π electron pair within the ring system)
with one (01).
i) Prediction of Aromatic behavior:
In the first case, the compound must be cyclic, planar (i.e. all the carbon atoms having same state of
hybridization) with even number of A value, where [A = πb+e-
p+1(constant)], here πb = number of π bonds
with in the ring system and e-
p = number of electron pair outside or adjacent to the ring system i.e. if the ring
contains hetero atoms (atoms containing lone pair of electrons) which can undergo delocalization and each
negative charge if present may be treated as one pair of electrons.
If the value of ‘A’, for a certain organic compound comes out as even number then this compound will be
treated as aromatic compound.
ii) Prediction of Anti-aromatic behavior:
In the second case, the compound must be cyclic, planar (i.e. all the carbon atoms having same state of
hybridization) with odd number of A value, where [A = πb+e-
p+1(constant)], here πb = number of π bonds
with in the ring system and e-
p = number of electron pair outside or adjacent to the ring system i.e. if the ring
contains hetero atoms which can undergo delocalization and each negative charge if present, may be treated as
one pair of electrons.
If the value of ‘A’, for a certain organic compound comes out as odd number then this compound will treat
as anti-aromatic compound.
↑↓ ↑↓ ↓
↑ ↓
↑ ↑ ↓
↑ ↓ ↑ ↓ ↑
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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Table -4.
(Aromatic and anti-aromatic nature of organic compounds by calculating A value)
Organic Compound
(Cyclic, Planar/Cyclic, non-
planar)
πb value
[πb = number
of π bonds
with in the
ring system]
e-
p value
[ e-
p = number of delocalized
electron pair outside or adjacent to
the ring system]
A value
[A = πb + e-
p +
1(constant)]
(even no/odd no)
Nature
of compound
( aromatic/anti-
aromatic/non
aromatic)
Benzene or [6] annulene
(Cyclic, Planar)
3 π bonds 0
3 + 0+1 = 4
(even no)
Aromatic
Naphthalene
(Cyclic, Planar)
5 π bonds 0
5 + 0 +1 = 6
(even no)
Aromatic
Cyclopropenyl cation
(Cyclic, Planar)
1 π bond 0
1 + 0 + 1 = 2
(even no)
Aromatic
Cyclopropenyl anion
(Cyclic, Planar)
1 π bond
1
(For one negative charge on carbon
which undergoes delocalization)
1 + 1+ 1 = 3
(odd no)
Anti-aromatic
Cyclobutadiene or
[4] annulene
(Cyclic, Planar)
2 π bonds 0
2 + 0 + 1 = 3 (odd
no)
Anti- aromatic
Cyclopentadienyl cation
(Cyclic, Planar)
2 π bonds 0
2 + 0 + 1 = 3 (odd
no)
Anti-aromatic
Pyridine
(Cyclic, Planar)
3 π bonds
0
( Here lone pair on N does not take
part in delocalization)
3 + 0 + 1 = 4
(even no)
Aromatic
G. Rapid calculation of the number of π-bonds, σ-bonds, single and double bonds in aliphatic unsaturated
open chain and cyclic olefinic hydrocarbons:
The molecular formula which defines a very large number of chemical structure, in this particular case, it is
a herculean task to calculate the nature and number of bonds. Earlier Badertscher et al11
studied a novel
formalism to characterize the degree of unsaturation of organic molecules1
. But no such work has not been taken
till now to calculate the number and types of bonds in open chain olefinic system having complex molecular
formulae like C176H250, C2000H2000 .
Keeping this in view, a rapid method has been proposed for the calculation of number of π-bonds, σ-bonds,
single and double bonds with the help of following 06 (six) completely new formulae for certain aliphatic
unsaturated open chain and cyclic olefinic hydrocarbons.
For Open Chain Aliphatic Hydrocarbons:
Calculation of π-bonds and double bonds (P):
In the first case, we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y)
in a given unsaturated hydrocarbon containing double bonds.
The formula to calculate the number of π bonds or double bonds for an aliphatic straight chain olefin is
P= [(2X-Y)/2] + 1
Where, X = number of carbon atoms; Y = number of hydrogen atoms and P = number of π bonds/double
bonds.
E.g.: In C176H250, X = 176, Y = 250, therefore P = (2 x 176 – 250)/2 +1 = 51 + 1 = 52 number of π bonds or
double bonds.
Calculation of σ-bonds (S):
In this case, first we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y)
in the given unsaturated hydrocarbon containing double bonds.
The formula to calculate the number of σ bonds for an aliphatic straight chain olefin is
S = [X + Y - 1]
Where, X = number of carbon atoms; Y = number of hydrogen atoms and S = number of sigma bonds (σ-
bonds).
E.g.: In C176H250, X = 176, Y = 250, therefore P = 176 + 250 -1 = 425 σ bonds.
Calculation of Single bonds (A):
The total number of single bond for an aliphatic straight chain olefin is
A = [(3Y/2)-2]
where A = number of single bonds and Y is number of hydrogen atoms.
E.g.: In C176H250, Y = 250, therefore A = [(3 x 250)/2] = 375 -2 = 373 single bonds.
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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TABLE -5
Example
(CxHy)
Straight-chain Structure
π bond/ bonds
[(2X-Y)/2+1]
σ bonds
[X+Y-1]
Single
bonds
[(3Y/2)-2]
Double
bond/bonds
[(2X-Y)/2 + 1]
C2H4 H2-C=C-H2 1 5 4 1
C3H6 H2C=CH-CH3 1 8 7 1
C3H4 H2C=C=CH2 2 6 4 2
C4H8
i)H2C=CH-CH2-CH3
ii)H3C-HC=CH-CH3
1 11 10 1
C4H6
i)H2C=C=CH-CH3
ii)H2C=CH-CH=CH2
2 9 7 2
C4H4 H2C=C=C=CH2 3 7 4 3
C176H250 - 52 425 373 52
C2000H2000 - 1001 3999 2998 1001
C99H4 - 98 102 4 98
C23H12 - 18 34 16 18
For Cyclic aliphatic olefinic hydrocarbons:
Calculation of π-bonds and double bonds (Pc):
In the first case, we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y)
in the given unsaturated cyclic olefinic hydrocarbons.
The formula to calculate the number of π bonds or double bonds for an aliphatic cyclic olefin is
Pc= [(2X-Y)/2]
Where, X = number of carbon atoms; Y = number of hydrogen atoms and Pc = number of π bonds or double
bonds in the cyclic olefinic system.
E.g.: In cyclooctatetraene (C8H8), X = Y = 8, therefore Pc = 16-8/2 = 4 number of π bonds or double bonds.
Calculation of σ-bonds (Sc):
In the first case, we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y)
in the given unsaturated cyclic olefinic hydrocarbons.
The formula to calculate the number of σ bonds for an aliphatic cyclic olefin is
Sc = [X + Y]
Where, X = number of carbon atoms; Y = number of hydrogen atoms and Sc = number of sigma bonds (σ-
bonds) in cyclic olefinic system.
Eg: In cyclooctatetraene (C8H8), X = Y = 8, therefore Sc = 8+8 = 16 number of σ bonds.
Calculation of Single bonds (Ac):
The total number of single bonds in aliphatic cyclic olefin can be calculated by using the formula Ac =
[3Y/2] where Ac = number of single bonds and y is number of hydrogen atoms in aliphatic cyclic olefin.
E.g.: In cyclooctatetraene (C8H8), Y = 8, therefore Ac = 24/2 = 12 number of single bonds.
TABLE -6
Example
(CxHy)
Cycloalkene
π bond / bonds (Pc)
=
[(2X-Y)/2]
σ bonds (Sc)
[X+Y]
Single bonds
(Ac)
[(3Y/2)]
Double
bond/bonds
[(2X-Y)/2]
C3H4 Cyclopropene 1 7 6 1
C4H4 Cyclobutadiene 2 8 6 2
C5H6 Cyclopentadiene 2 11 9 2
C6H8 Cyclohexadiene 2 14 12 2
C7H8 Cycloheptatriene 3 15 12 3
C8H8 Cyclooctatetraene 4 16 12 4
III. Conclusions:
It is expected that these innovative methods would go a long way to help to the students of chemistry of
Undergraduate, Senior Undergraduate and Post-Graduate level who would choose the subject as their career.
Experiment in vitro on 100 students showed that by using these new innovative methods students can save up to
30-40 mins time in the examination hall. On the basis of this, I can strongly recommend to use these new
metabolic interesting methods.
Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article
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Acknowledgement:
I would be grateful subsequently to Prof. G.N.Mukherjee(Retd.), Dept. of Chemistry, Calcutta
University, Prof. R. N. Mukherjee, Director, IISER, Kolkata, Prof. P. K. Chattaraj, Convenor, centre for
Theoretical studies, Deptt. of Chemistry, IIT Kharagpur, India,; Prof. Samar Kumar Das, School of Chemistry,
University of Hyderabad, Prof. Partha Sarathi Mukherjee, Dept. of Chemistry, Indian Institute of Science,
Bangalore, Prof. V. Jagannadam (Retd-), Dept. of Chemistry, Osmania University and Editor-in-Chief, World
Journal of Chemical Education, SEP, USA, Prof. A. T. Khan, Head, Deptt. of Chemistry, IIT Patna, Dr. Satish
Nimse, Dept. of Chemistry, Hyllym University, South Korea, Prof. A.K.Das, Ex Vice-Chancellor of Kalyani
University, Prof. Nilashis Nandi, Dept. of Chemistry, Kalyani University, W.B., India, Prof. Md. Ali, Deptt. of
Chemistry, Jadavpur University, Prof. R. A. Lal, Head, Dept. of Chemistry, NEHU, Shillong, Prof.M.K.Singh
and Prof.R.K.Nath(Head), Deptt. of Chemistry, Tripura Central University for their appreciation and recognition
in this regard.
Further, I would be grateful to Dr. S. Rakshit, Principal, Govt. Degree College, Dharmanagar,
Tripura(N), Tripura, India, for giving him this opportunity to carry out the research work when he was at Govt.
Degree College, Dharmanagar, North Tripura.
I would also be grateful to the Honble Chief Minister of the State, Mr. Manik Sarkar and Honble Ex-
Higher Education Minister, Mr. Anil Sarkar for their felicitation with ‘Certificate of Honour’ on behalf of the
state and Mr. Sekhar Datta, Chairman, tripurainfo.com and Senior Correspondent, ‘The Telegraph’ newspaper,
Mr. Goutam Das, Editor, ‘Daily Desher Katha’ news Paper and Mr.Jayanta Debnath, MD, Tripurainfo.com for
their valuable sustaining mentality in this regard.
Finally, I give my cordial thanks to the Director and Assistant Director of the prestigious American
Chemical Society, USA, for sending me their invitation along with nomination to join the impressive ACS
network.
References:
[1]. Lee.J.D.(2009 5th
ed.), Concise Inorg. Chem, ; Wiley India and Oxford, 944 and 109-112.
[2]. Douglas.B.(2007 3rd
ed.), Mcdaniel. D. and Alexander.J., Concepts and Models of Inorg. Chem.,; Wiley India, 157 and 38.
[3]. Cotton.F.A.,Wilkinson.G.and Gaus.P.L.(2007 3rd
ed.),Basic Inorg.Chem.,;Wiley India, 107, 523 & 111.
[4]. Mahan. B.M. and Meyers.R.J. (1998 4th
ed.),International Student Edition University Chemistry,599-603,.
[5]. Dutta R.L., Inorganic Chem.(2009 6th
ed.P1), 146-147.
[6]. Finar I.L, Organic Chemistry, Vol-1, (2004 6th
ed.), 1, 532, 577-580, Pearson.
[7]. Morrison R.T. and Boyd R.N., 7th
ed., Organic Chemistry, 208, Pearson.
[8]. Solomons T.W.Graham and Fryhle C.B. (2009 & 2012 10th
ed.), Organic Chemistry,150, 632- 639, Wiley India.
[9]. Madan R.L.,Chem.(2011 1st
ed.), p88.
[10]. Smith J.G. (2008 2nd
ed.), Organic chemistry, 616-619.
[11]. Martin Badertscher, Kaspar Bischofberger, Morton E. Munk, and Erno Pretsch, ‘A Novel Formalism To Characterize the Degree
of Unsaturation of Organic Molecules’(2001), J. Chem.Inf. Comput. Sci. 41, 889-893.
[12]. Das Arijit (2013),‘New Innovative methods for prediction of Bond order of mono and diatomic molecules,ions and also acid
radicals in a very short time’, Ind. J. of Applied Research, 03(07), 114, ISSN-2249-555X.
[13]. Das Arijit (2013), ‘New Innovative Methods for Prediction of Hybridization State in a Very Short Time’,Ind. J. of Applied
Research, 03(07), 594, ISSN-2249-555X.
[14]. Das Arijit (2013), ‘New Innovative Methods for IUPAC Nomenclature of Bicyclo and Spiro Compounds in Organic Chemistry’,
Ind. J. of Applied Research, 03 (07), 596, ISSN-2249-555X.
[15]. Das Arijit (2013), ‘New Innovative Methods for Determination of Spin Multiplicity, Spin State and Magnetic Properties of
Diatomic Hetero Nuclear Molecules or Ions in a Very Short Interval of Time’, Ind. J .of Applied Research,03(08), 67, ISSN-
2249-555X.
[16]. Das Arijit (2013), ‘New Innovative methods for prediction Bond order of mono and diatomic molecules or ions having total
number of (1-20)e-
s in a very short time’, Ind. J. of Applied Research,03(09), 63, ISSN-2249-555X.
[17]. Das Arijit (2013), Adhikari Suman, Paul Bijaya, Sanjeev R. and Jagannadham V., ‘A rapid and innovative method for the
identification of aromatic and anti-aromatic nature of organic compounds’, World Journal of Chemical Education, SEP, USA,
01(01), 6.
[18]. Das Arijit (2013), ‘A rapid and innovative method for the easy prediction of Magnetic behavior of homo and hetero nuclear
mono and diatomic molecules or ions without MOT’, Ind. J of Applied Research,03(10), 1, ISSN-2249-555X.
[19]. Sanjeev R, Jagannadham V., Ravi R., Veda R. Vrath and Das Arijit (2013), ‘Simultaneous Equations as a Tool in the
Spectrophotometric Analysis of Two Non-interacting Substances in a Binary Mixture: Senior Undergraduate Physical and
Physical-Organic Chemistry Laboratory Experiment’, Journal of Laboratory Chemical Education, SAP, USA, 1(4), 59,
DOI:10.5923/j.jlce.20130104.01.
[20]. Das Arijit (2013), ‘New Methods for Prediction of Bond Order of Mono and Diatomic Homo and Hetero Nuclear Molecules or
Ions Having (1-20)e-
s and Oxide Based Acid Radicals Without MOT – a Rapid Innovative Approach’, Ind. J. of Applied
Research, 03(11), 41, 2013, ISSN-2249-555X.
[21]. Das Arijit (2013), Pal Debapriya, Paul Bijaya, Sanjeev R. and Jagannadham V., ‘Rapid calculation of the number of π-bonds, σ-
bonds, single and double bonds in aliphatic unsaturated open chain and cyclic olefinic hydrocarbons’, J. Ind. Chem. Soc. (in
Press).
[22]. Das Arijit (2013), Pal Debapriya, Adhikari Suman, Paul Bijaya, Sanjeev R. and Jagannadham V.,‘Rapid calculation of the
number of π-bonds, σ-bonds, single and triple bonds in aliphatic Unsaturated open chain and cycloalkynes’ , World Journal of
Chemical Education, SEP, USA (in press).
[23]. Das Arijit (2013), ‘New Methods for the prediction of Magnetic Moment of homo and hetero nuclear mono and diatomic
molecules or ions without MOT - A Rapid Innovative Approach’, Int. J. of Adv. Res., 1, 1(10), USA.

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Simple Thinking Makes Chemistry Metabolic and Interesting - A Review Article

  • 1. IOSR Journal of Applied Chemistry (IOSR-JAC) e-ISSN: 2278-5736.Volume 6, Issue 4 (Nov. – Dec. 2013), PP 08-15 www.iosrjournals.org www.iosrjournals.org 8 | Page Simple Thinking Makes Chemistry Metabolic and Interesting - A Review Article Arijit Das Ph.D., MACS (Invited,USA), FICS, FISC, FIAFS (Ind) Department of Chemistry, Ramthakur College, Agartala, Tripura West, Tripura, India Abstract: First of all I give my love to all the students who reside in ‘Chemistry Phobia zone’. In this short article I shall try to share my simple thinking that I achieved during my last 16 years of journey in the route of Chemical Education. Before starting my journey it was a big encounter for me to change the conventional methods and makes chemistry easier and interesting to such student who belongs to Chemistry Paranoia Zone. I believe that students are just like flowers and it is our duty to nourish them properly as a gardener. In my infinitely small area of knowledge, I just try to innovate fourteen (14) teaching methodologies by including thirty four (34) completely new formulae in the chemistry world which were followed by different eminent writers in their books since last 90-95 years namely Sir G.Wilkinson, Prof. F. Albert Cotton, Prof. I.L.Finar, Prof. R.T. Morrison, Prof. R.N. Boyd, Prof. Solomons and Prof. Fryhle, Prof. J.G. Smith etc.. Keywords: Hybridization, Bond-order, Acid radical, Bond-Distances, Spin Multiplicity, Aromatic and Anti aromatic compound, Magnetic Moment, Open chain olefinic system, cyclic olefinic system, π and σ-bond, double and single bond, number of carbon and hydrogen atoms. I. Introduction The conventional methods1-11 for determination of Hybridization, bond order of mono and diatomic homo and hetero nuclear molecules or ions having total electrons (01-20) using M.O.T., bond-order of oxide based acid radicals, ‘IUPAC nomenclature of spiro and bicyclo compounds, ‘spin multiplicity value calculation’, ‘Aromatic and Anti-Aromatic behavior of Organic compunds’, ‘magnetic properties of homo and hetero nuclear diatomic molecules and ions, ‘simultaneous equations as a tool in the spectrophotometric analysis of two non-interacting substances in a binary mixture, prediction of Magnetic Moment of homo and hetero nuclear mono and diatomic molecules or ions without MOT, calculation of the number of π-bonds, σ-bonds, single and double bonds in aliphatic unsaturated open chain and cyclic olefinic hydrocarbons and alkyne system etc. is time consuming. Keeping this in mind, I introduced some new innovative methods12-23 to make chemistry easier and interesting. Here, I have tried to discuss few of them shortly. II. Result And Discussion: New Innovative Teaching and Learning Methodologies A. Hybridization state determination (for sp, sp2 , sp3 , sp3 d, sp3 d2 , sp3 d3 hybridization) concept proposed by Linus Pauling in 1931-1932 : We Know that, Hybridization is nothing but the mixing of orbital’s in different ratio to form some newly synthesized orbitals called hybrid orbitals. The mixing pattern is as follows: s + p (1:1) - sp hybrid orbital ; s + p (1:2) - sp2 hybrid orbital ; s + p (1:3) - sp3 hybrid orbital Formula for determination of hybridization state like sp, sp2 , sp3 followed the following method: Power of the Hybridization state of the centre atom = (Total no of σ bonds around each centre atom -1) All single (-) bonds are σ bond, in double bond (=) there is one σ and 1π, in triple bond there is one σ and 2π. In addition to these each lone pair (i.e.no of electrons in the outermost orbit which should not take part in bond formation) and Co-ordinate bond can be treated as one σ bond. Eg. In H3BO3 - B has 3σ bonds (3BPs but no LPs) and oxygen has 4σ bonds (2BPs & 2LPs) so, in this case power of the hybridization state of B = 3-1 = 2 i.e. B is sp2 hybridized in H3BO3. on the other hand, power of the hybridization state of O = 4-1= 3 i.e. hybridization state of O in H3BO3 is sp3 . For determination of the hybridization state like sp3 d, sp3 d2 , sp3 d3 followed the following method:- In case of sp3 d, sp3 d2 and sp3 d3 hybridization state there is a common term sp3 for which 04 sigma bonds are responsible. So, in addition to 04 sigma bonds, for each additional sigma, added one d orbital gradually as follows:- 5σ bonds = 4σ bonds + 01 additional σ bond = sp3 d hrbridization; 6σ bonds = 4σ bonds + 02 additional σ bonds = sp3 d2 hrbridization; 7σ bonds = 4σ bonds + 03 additional σ bonds = sp3 d3 hrbridization.
  • 2. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 9 | Page Eg. IF4 + : I has 07 e- s in its outermost shell, so, in this case, subtract one e- from 07 i.e. 07-1= 06. So, out of 06 electrons, 04 electrons form 04 I-F bonds i.e. 04 sigma bonds and there is one LP. So, altogether there is 05 σ bonds. So, 5σ bonds = 04 σ bonds + 01 additional σ bond = sp3 d hrbridization. B. For Bond Order of mono and diatomic homo and hetero nuclear molecules or ions having (1-20)e- s and oxide based acid radicals without M.O.T. proposed by Friedrich Hund and Robert Mulliken in 1933 :- Fig:-1 (B.O. vs number of electrons) The graphical representation presented in Fig. 1 shows that bond-order gradually increases to 01 in the range (0-02) electrons then it falls to zero in the range (02-04) electrons then it further rises to 01 for (04-06) electrons and once again falls to zero for (06-08) electrons then again rises to 3 in the range (08-14) electrons and then finally falls to zero for (14-20) electrons. For total no of electrons 2, 6 and 14, we use multiple formulae, because they fall in the overlapping region in which they intersect with each other. First of all we classify the molecules or ions into four (04) types based on the total no of electrons. i) Molecules and ions having total no of electrons within the range (0-2). In such case Bond order = n/2 ; [Where n = Total no of electrons] Eg. H2 (Total e- s = 02), Therefore B.O. = n/2 = 02/2 = 1 ii) Molecules and ions having total no of electrons within the range (2-6). In such case Bond order = I 4- n I / 2 ; [Where n = Total no of electrons, ‘I I’ indicates Mod function i.e. the value of bond order is always positive] Eg. Li2 + (5e- s) Therefore B.O. = I 4-5 I / 2 = 1/2 = 0.5. iii)Molecules and ions having total no of electrons within the range (6-14). In such case Bond order = I 8-n I / 2 Eg: CO (Total e- s = 06+08=14), Therefore B.O.= I 08-14 I / 2 = 3 iv)Molecules and ions having total no of electrons within the range (14-20). In such case Bond order = (20-n) / 2 ; [Where n = Total no of electrons] Eg. NO (Total e- s = 15), Therefore B.O. = 20-15/2 = 2.5 C. Bond order of oxide based Acid Radicals: In case of Acid Radicals B.O.=Valency of one of the peripheral atom + (Charge on Acid Radical / Total number of peripheral atoms) Eg. ClO4 - ; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -1, Total Number of Peripheral atoms = 04), Therefore B.O. = 2 + (-1/4) = (8 – 1)/4 = 7/4 = 1.75 ClO3 - ; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -1, Total Number of Peripheral atoms = 03), Therefore B.O. = 2 + (-1/3) = (6 – 1)/3 = 5/3 = 1.66 ClO2 - ; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -1, Total Number of Peripheral atoms = 02), Therefore B.O. = 2 + (-1/2) = (4 – 1)/2 = 3/2 = 1.5
  • 3. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 10 | Page AsO4 3- ; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -3, Total Number of Peripheral atoms = 04), Therefore B.O. = 2 + (-3/4) = (8 – 3)/4 = 5/4 = 1.25 AsO3 3- ; (Valency of one Peripheral atom i.e. Oxygen = 2, Charge on acid radical = -3, Total Number of Peripheral atoms = 03), Therefore B.O. = 2 + (-3/3) = 1.0 Correlation among / between Literature values of bond-distances of some oxide based acid radicals with their predicted bond order values: Literature values of the Cl-O average bond lengths in ClO4 - ,ClO3 - and ClO2 - ; As-O bond lengths in AsO4 3- and AsO3 3- w.r.t. their Bond order suggest that with increasing bond-order M-O bond length (Where M = Cl, As etc.) decreases which is tabulated below. Table-1 (Correlation of some bond-distances with their predicted bond order values) Oxide Based Acid Radicals Bond-Order Values Avg. M-O Bond-Distances As per Literature (Å) Remarks ClO4 - 1.75 1.50 Increasing Bond-Order decreases Bond Length ClO3 - 1.6 1.57 ClO2 - 1.5 1.64 AsO4 3- 1.25 1.75 AsO3 3- 1.0 1.77 D. Magnetic Properties of homo and hetero nuclear diatomic molecules or ions without MOT: The present study involves three new formulae by just manipulating the number of unpaired electrons (n) using mod function (based on Applied Mathematics) and by means of these n values one can easily stumble the magnetic moment values in Bohr-Magneton using spin only formula μs = √n(n+2) B.M., where B.M. = Bohr Magneton = Unit of Magnetic Moment, n = number of unpaired electrons. First of all we classify the molecules or ions depending on the total number of electrons present in them in the following three (03) sets. Set-1: Molecules or ions having (1-3)e- s, (3-5)e- s, (5-7)e- s, (7-10)e- s, (13-16)e- s Set-2: Molecules or ions having (10-13)e- s and (16-19)e- s Set-3: Molecules or ions having 20 e- s Then for different set we have to use three different formulae to calculate the number of unpaired electrons and thus magnetic moment (μs in B.M.) can be evaluated in the following way: F-1(For Set-1) - for the determination of number of unpaired electrons (n) of molecules or ions having total number of electrons (1-3), (3-5), (5-7), (7-10) and(13-16)e- s: In this case, the number of unpaired electrons n = [ I (ND - total e- s) I ] Here, ND = next digit i.e. digit next to minimum digit and ‘I I’ indicates Mod Function. Eg:Molecules or ions having (1-3)e- s, in this case ND = 2 because here minimum digit is 1. Therefore, for He2 + (3e- s), the total number of electrons will be 3, ND = 2, Hence, unpaired electron n = I (ND - total e- s) I = I (2-3) I = 1 Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 1(1+2) BM = √3 BM = 1.73BM For the molecules or ions containing (3-5)e- s, (5-7)e- s, (7-10)e- s, and (13-16)e- s the ND value will be 4, 6, 8 and 14 respectively. Hence, the value of n = [ I (4-total e- s) I ]; [ I (6- total e- s) I ] [ I (8- total e- s) I ] and [ I (14- total e- s) I ] respectively. F-2(For Set-2) - for the determination of number of unpaired electrons (n) of molecules or ions having total number of electrons (10-13) and (16-19): In this case, the number of unpaired electrons n = [ I (PD - total e- s) I ] Here, PD = Penultimate electron digit (i.e. before last electron). Eg: for C2 - (13e- s), the total number of electrons will be 13, PD = 12 Hence, unpaired electron n = I (12 - total e- s) I = I (12-13) I = 1 Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 1(1+2) BM = √3 BM = 1.73BM For F2 (18e- s), the total number of electrons will be 18, PD = 18 Hence, unpaired electron n = I (18 - total e- s) I = I (18-18) I = 0 Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 0(0+2) BM = 0 BM = Diamagnetic in nature. F-3(For Set-3) - for the determination of number of unpaired electrons (n) of molecules or ions having total number of electrons 20: In this case, the number of unpaired electrons n = [ I (20 - total e- s) I ] Eg: for Ne2 (20e- s), the total number of electrons will be 20,
  • 4. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 11 | Page Hence, unpaired electron n = I (20 - total e- s) I = I (20-20) I = 0 Hence, Magnetic Moment μs = √n(n+2) B.M. = √ 0(0+2) BM = 0 BM = Diamagnetic in nature. Table:-2(Magnetic moments of homo and hetero nuclear diatomic molecules or ions) Molecules or ions Total Number of e- s n value (no of unpaired electrons) Magnetic moment (μs) in BM Remarks H2 + 1 1 1.73 Para magnetic H2, He2 2+ 2 0 0 Diamagnetic H2 - ,He2 + 3 1 1.73 Para magnetic He2, 4 0 0 Diamagnetic Li2 + ,He2 - 5 1 1.73 Para magnetic Li2, He2 2- , Be2 2+ 6 0 0 Diamagnetic Be2 + ,Li2 - 7 1 1.73 Para magnetic Be2,Li2 2- 8 0 0 Diamagnetic Be2 - ,B2 + 9 1 1.73 Para magnetic B2, Be2 2- , HF 10 2 2.82 Para magnetic B2 - ,C2 + 11 1 1.73 Para magnetic C2,B2 2- ,N2 2+ , CN+ 12 0 0 Diamagnetic C2 - ,N2 + 13 1 1.73 Para magnetic N2,CO,NO+ ,C2 2- ,CN- ,O2 2+ 14 0 0 Diamagnetic N2 - ,NO,O2 + 15 1 1.73 Para magnetic NO- ,O2 16 2 2.82 Para magnetic O2 - 17 1 1.73 Para magnetic F2,O2 2- ,HCl 18 0 0 Diamagnetic F2 - 19 1 1.73 Para magnetic Ne2 20 0 0 Diamagnetic E. Evaluation of Spin Multiplicity value, first discovered by Friedrich Hund in 1925. : The formula which is generally used for the prediction of spin multiplicity value is [(2S+1), where S = Σs = total spin quantum no] is time consuming. To keep the matter in mind a new innovative method has to be introduced for calculation of spin-multiplicity value in the easiest way by ignoring the calculation of total spin quantum number (S = Σs). First of all we should classify the species (atoms, molecules, ions or complexes) for which spin multiplicity should be evaluated into three types based on the nature of alignment of unpaired electrons present in them. i) Species having unpaired electrons in upward alignment (↑): In this case, spin multiplicity = (n+1); where n = number of unpaired electrons. Spin multiplicity = (n +1) = (1+1) = 2 (spin state = doublet); (2+1) = 3 (spin state = triplet) and (3 + 1) = 4 (spin state = quartet) respectively. ↑↓ ↑ ↑ Spin multiplicity = (n +1) = (2 + 1) = 3 (in this case ignore paired electrons) (spin state = triplet) and (1 + 1) = 2 (spin state = doublet) ↑↓ ↑↓ ↑↓ Spin multiplicity = (n +1) = (0 + 1) = 1 (spin state = singlet) ii) Species having unpaired electrons in downward alignment (↓): In this case spin multiplicity = (-n+1) Here (-ve) sign indicate downward arrow. Spin multiplicity = (-n +1) = (-1 + 1) = 0; (-2 + 1) = -1 and (-3 + 1) = -2 respectively. ↑ ↑ ↑ ↑ ↑ ↑ ↑↓ ↑↓ ↑ ↓ ↓ ↓ ↓ ↓ ↓
  • 5. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 12 | Page ↑↓ ↓ ↓ Spin multiplicity = (-n + 1) = (-2 + 1) = -1( ignore paired electrons) and (-1 + 1) = 0 respectively. iii) Species having unpaired electrons in both upward and downward alignment : In this case spin multiplicity = [(+n) + (-n) + 1] where n = number of unpaired electrons in each alignment. Here, (+ve) sign and (–ve) sign indicate upward and downward alignment respectively. Here total no of unpaired electrons = 2 in which one having upward direction (+1) and other having downward mode (-1). Hence Spin multiplicity = [(+n) + (-n) +1] = [(+1) + (-1) + 1] = 1 (spin state = singlet) Here the total no of unpaired electrons = 3 in which two unpaired electrons lie in upward (+2) and one unpaired electrons lie in downward (-1) . Hence Spin multiplicity = [(+n) + (-n) + 1] = [(+2) + (-1) + 1] = 2 (spin state = doublet) Here the total no of unpaired electrons = 5 in which three unpaired electrons lie upward (+3) and two unpaired electrons lie downward (-2) . Hence Spin multiplicity = [(+n) + (-n) + 1] = [(+3) + (-2) +1] = 2 (spin state = doublet) Table-3: spin multiplicity value and its corresponding spin state Spin multiplicity value Spin state 1 Singlet 2 Doublet 3 Triplet 4 Quartet 5 Quintet F. Identification of Aromatic and Anti-Aromatic nature of Organic Compounds without Huckel’s Rule of Aromaticity, devised by Huckel in 1931 : The present study will be a new innovative method involving two formulae by just manipulating the no of π bonds within the ring system and delocalized electron pair (excluding π electron pair within the ring system) with one (01). i) Prediction of Aromatic behavior: In the first case, the compound must be cyclic, planar (i.e. all the carbon atoms having same state of hybridization) with even number of A value, where [A = πb+e- p+1(constant)], here πb = number of π bonds with in the ring system and e- p = number of electron pair outside or adjacent to the ring system i.e. if the ring contains hetero atoms (atoms containing lone pair of electrons) which can undergo delocalization and each negative charge if present may be treated as one pair of electrons. If the value of ‘A’, for a certain organic compound comes out as even number then this compound will be treated as aromatic compound. ii) Prediction of Anti-aromatic behavior: In the second case, the compound must be cyclic, planar (i.e. all the carbon atoms having same state of hybridization) with odd number of A value, where [A = πb+e- p+1(constant)], here πb = number of π bonds with in the ring system and e- p = number of electron pair outside or adjacent to the ring system i.e. if the ring contains hetero atoms which can undergo delocalization and each negative charge if present, may be treated as one pair of electrons. If the value of ‘A’, for a certain organic compound comes out as odd number then this compound will treat as anti-aromatic compound. ↑↓ ↑↓ ↓ ↑ ↓ ↑ ↑ ↓ ↑ ↓ ↑ ↓ ↑
  • 6. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 13 | Page Table -4. (Aromatic and anti-aromatic nature of organic compounds by calculating A value) Organic Compound (Cyclic, Planar/Cyclic, non- planar) πb value [πb = number of π bonds with in the ring system] e- p value [ e- p = number of delocalized electron pair outside or adjacent to the ring system] A value [A = πb + e- p + 1(constant)] (even no/odd no) Nature of compound ( aromatic/anti- aromatic/non aromatic) Benzene or [6] annulene (Cyclic, Planar) 3 π bonds 0 3 + 0+1 = 4 (even no) Aromatic Naphthalene (Cyclic, Planar) 5 π bonds 0 5 + 0 +1 = 6 (even no) Aromatic Cyclopropenyl cation (Cyclic, Planar) 1 π bond 0 1 + 0 + 1 = 2 (even no) Aromatic Cyclopropenyl anion (Cyclic, Planar) 1 π bond 1 (For one negative charge on carbon which undergoes delocalization) 1 + 1+ 1 = 3 (odd no) Anti-aromatic Cyclobutadiene or [4] annulene (Cyclic, Planar) 2 π bonds 0 2 + 0 + 1 = 3 (odd no) Anti- aromatic Cyclopentadienyl cation (Cyclic, Planar) 2 π bonds 0 2 + 0 + 1 = 3 (odd no) Anti-aromatic Pyridine (Cyclic, Planar) 3 π bonds 0 ( Here lone pair on N does not take part in delocalization) 3 + 0 + 1 = 4 (even no) Aromatic G. Rapid calculation of the number of π-bonds, σ-bonds, single and double bonds in aliphatic unsaturated open chain and cyclic olefinic hydrocarbons: The molecular formula which defines a very large number of chemical structure, in this particular case, it is a herculean task to calculate the nature and number of bonds. Earlier Badertscher et al11 studied a novel formalism to characterize the degree of unsaturation of organic molecules1 . But no such work has not been taken till now to calculate the number and types of bonds in open chain olefinic system having complex molecular formulae like C176H250, C2000H2000 . Keeping this in view, a rapid method has been proposed for the calculation of number of π-bonds, σ-bonds, single and double bonds with the help of following 06 (six) completely new formulae for certain aliphatic unsaturated open chain and cyclic olefinic hydrocarbons. For Open Chain Aliphatic Hydrocarbons: Calculation of π-bonds and double bonds (P): In the first case, we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y) in a given unsaturated hydrocarbon containing double bonds. The formula to calculate the number of π bonds or double bonds for an aliphatic straight chain olefin is P= [(2X-Y)/2] + 1 Where, X = number of carbon atoms; Y = number of hydrogen atoms and P = number of π bonds/double bonds. E.g.: In C176H250, X = 176, Y = 250, therefore P = (2 x 176 – 250)/2 +1 = 51 + 1 = 52 number of π bonds or double bonds. Calculation of σ-bonds (S): In this case, first we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y) in the given unsaturated hydrocarbon containing double bonds. The formula to calculate the number of σ bonds for an aliphatic straight chain olefin is S = [X + Y - 1] Where, X = number of carbon atoms; Y = number of hydrogen atoms and S = number of sigma bonds (σ- bonds). E.g.: In C176H250, X = 176, Y = 250, therefore P = 176 + 250 -1 = 425 σ bonds. Calculation of Single bonds (A): The total number of single bond for an aliphatic straight chain olefin is A = [(3Y/2)-2] where A = number of single bonds and Y is number of hydrogen atoms. E.g.: In C176H250, Y = 250, therefore A = [(3 x 250)/2] = 375 -2 = 373 single bonds.
  • 7. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 14 | Page TABLE -5 Example (CxHy) Straight-chain Structure π bond/ bonds [(2X-Y)/2+1] σ bonds [X+Y-1] Single bonds [(3Y/2)-2] Double bond/bonds [(2X-Y)/2 + 1] C2H4 H2-C=C-H2 1 5 4 1 C3H6 H2C=CH-CH3 1 8 7 1 C3H4 H2C=C=CH2 2 6 4 2 C4H8 i)H2C=CH-CH2-CH3 ii)H3C-HC=CH-CH3 1 11 10 1 C4H6 i)H2C=C=CH-CH3 ii)H2C=CH-CH=CH2 2 9 7 2 C4H4 H2C=C=C=CH2 3 7 4 3 C176H250 - 52 425 373 52 C2000H2000 - 1001 3999 2998 1001 C99H4 - 98 102 4 98 C23H12 - 18 34 16 18 For Cyclic aliphatic olefinic hydrocarbons: Calculation of π-bonds and double bonds (Pc): In the first case, we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y) in the given unsaturated cyclic olefinic hydrocarbons. The formula to calculate the number of π bonds or double bonds for an aliphatic cyclic olefin is Pc= [(2X-Y)/2] Where, X = number of carbon atoms; Y = number of hydrogen atoms and Pc = number of π bonds or double bonds in the cyclic olefinic system. E.g.: In cyclooctatetraene (C8H8), X = Y = 8, therefore Pc = 16-8/2 = 4 number of π bonds or double bonds. Calculation of σ-bonds (Sc): In the first case, we have to count the number of carbon atoms (X) and the number of hydrogen atoms (Y) in the given unsaturated cyclic olefinic hydrocarbons. The formula to calculate the number of σ bonds for an aliphatic cyclic olefin is Sc = [X + Y] Where, X = number of carbon atoms; Y = number of hydrogen atoms and Sc = number of sigma bonds (σ- bonds) in cyclic olefinic system. Eg: In cyclooctatetraene (C8H8), X = Y = 8, therefore Sc = 8+8 = 16 number of σ bonds. Calculation of Single bonds (Ac): The total number of single bonds in aliphatic cyclic olefin can be calculated by using the formula Ac = [3Y/2] where Ac = number of single bonds and y is number of hydrogen atoms in aliphatic cyclic olefin. E.g.: In cyclooctatetraene (C8H8), Y = 8, therefore Ac = 24/2 = 12 number of single bonds. TABLE -6 Example (CxHy) Cycloalkene π bond / bonds (Pc) = [(2X-Y)/2] σ bonds (Sc) [X+Y] Single bonds (Ac) [(3Y/2)] Double bond/bonds [(2X-Y)/2] C3H4 Cyclopropene 1 7 6 1 C4H4 Cyclobutadiene 2 8 6 2 C5H6 Cyclopentadiene 2 11 9 2 C6H8 Cyclohexadiene 2 14 12 2 C7H8 Cycloheptatriene 3 15 12 3 C8H8 Cyclooctatetraene 4 16 12 4 III. Conclusions: It is expected that these innovative methods would go a long way to help to the students of chemistry of Undergraduate, Senior Undergraduate and Post-Graduate level who would choose the subject as their career. Experiment in vitro on 100 students showed that by using these new innovative methods students can save up to 30-40 mins time in the examination hall. On the basis of this, I can strongly recommend to use these new metabolic interesting methods.
  • 8. Simple Thinking Makes Chemistry Metabolic And Interesting - A Review Article www.iosrjournals.org 15 | Page Acknowledgement: I would be grateful subsequently to Prof. G.N.Mukherjee(Retd.), Dept. of Chemistry, Calcutta University, Prof. R. N. Mukherjee, Director, IISER, Kolkata, Prof. P. K. Chattaraj, Convenor, centre for Theoretical studies, Deptt. of Chemistry, IIT Kharagpur, India,; Prof. Samar Kumar Das, School of Chemistry, University of Hyderabad, Prof. Partha Sarathi Mukherjee, Dept. of Chemistry, Indian Institute of Science, Bangalore, Prof. V. Jagannadam (Retd-), Dept. of Chemistry, Osmania University and Editor-in-Chief, World Journal of Chemical Education, SEP, USA, Prof. A. T. Khan, Head, Deptt. of Chemistry, IIT Patna, Dr. Satish Nimse, Dept. of Chemistry, Hyllym University, South Korea, Prof. A.K.Das, Ex Vice-Chancellor of Kalyani University, Prof. Nilashis Nandi, Dept. of Chemistry, Kalyani University, W.B., India, Prof. Md. Ali, Deptt. of Chemistry, Jadavpur University, Prof. R. A. Lal, Head, Dept. of Chemistry, NEHU, Shillong, Prof.M.K.Singh and Prof.R.K.Nath(Head), Deptt. of Chemistry, Tripura Central University for their appreciation and recognition in this regard. Further, I would be grateful to Dr. S. Rakshit, Principal, Govt. Degree College, Dharmanagar, Tripura(N), Tripura, India, for giving him this opportunity to carry out the research work when he was at Govt. Degree College, Dharmanagar, North Tripura. I would also be grateful to the Honble Chief Minister of the State, Mr. Manik Sarkar and Honble Ex- Higher Education Minister, Mr. Anil Sarkar for their felicitation with ‘Certificate of Honour’ on behalf of the state and Mr. Sekhar Datta, Chairman, tripurainfo.com and Senior Correspondent, ‘The Telegraph’ newspaper, Mr. Goutam Das, Editor, ‘Daily Desher Katha’ news Paper and Mr.Jayanta Debnath, MD, Tripurainfo.com for their valuable sustaining mentality in this regard. Finally, I give my cordial thanks to the Director and Assistant Director of the prestigious American Chemical Society, USA, for sending me their invitation along with nomination to join the impressive ACS network. References: [1]. Lee.J.D.(2009 5th ed.), Concise Inorg. Chem, ; Wiley India and Oxford, 944 and 109-112. [2]. Douglas.B.(2007 3rd ed.), Mcdaniel. D. and Alexander.J., Concepts and Models of Inorg. Chem.,; Wiley India, 157 and 38. [3]. Cotton.F.A.,Wilkinson.G.and Gaus.P.L.(2007 3rd ed.),Basic Inorg.Chem.,;Wiley India, 107, 523 & 111. [4]. Mahan. B.M. and Meyers.R.J. (1998 4th ed.),International Student Edition University Chemistry,599-603,. [5]. Dutta R.L., Inorganic Chem.(2009 6th ed.P1), 146-147. [6]. Finar I.L, Organic Chemistry, Vol-1, (2004 6th ed.), 1, 532, 577-580, Pearson. [7]. Morrison R.T. and Boyd R.N., 7th ed., Organic Chemistry, 208, Pearson. [8]. Solomons T.W.Graham and Fryhle C.B. (2009 & 2012 10th ed.), Organic Chemistry,150, 632- 639, Wiley India. [9]. 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Sanjeev R, Jagannadham V., Ravi R., Veda R. Vrath and Das Arijit (2013), ‘Simultaneous Equations as a Tool in the Spectrophotometric Analysis of Two Non-interacting Substances in a Binary Mixture: Senior Undergraduate Physical and Physical-Organic Chemistry Laboratory Experiment’, Journal of Laboratory Chemical Education, SAP, USA, 1(4), 59, DOI:10.5923/j.jlce.20130104.01. [20]. Das Arijit (2013), ‘New Methods for Prediction of Bond Order of Mono and Diatomic Homo and Hetero Nuclear Molecules or Ions Having (1-20)e- s and Oxide Based Acid Radicals Without MOT – a Rapid Innovative Approach’, Ind. J. of Applied Research, 03(11), 41, 2013, ISSN-2249-555X. [21]. Das Arijit (2013), Pal Debapriya, Paul Bijaya, Sanjeev R. and Jagannadham V., ‘Rapid calculation of the number of π-bonds, σ- bonds, single and double bonds in aliphatic unsaturated open chain and cyclic olefinic hydrocarbons’, J. Ind. Chem. Soc. (in Press). [22]. Das Arijit (2013), Pal Debapriya, Adhikari Suman, Paul Bijaya, Sanjeev R. and Jagannadham V.,‘Rapid calculation of the number of π-bonds, σ-bonds, single and triple bonds in aliphatic Unsaturated open chain and cycloalkynes’ , World Journal of Chemical Education, SEP, USA (in press). [23]. Das Arijit (2013), ‘New Methods for the prediction of Magnetic Moment of homo and hetero nuclear mono and diatomic molecules or ions without MOT - A Rapid Innovative Approach’, Int. J. of Adv. Res., 1, 1(10), USA.