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brown liquid 
Click here simulation on covalent bond 
yellow gas 
greenish gas 
violet solid 
Covalent bonding between non metals 
2.8.7 
Gp 17 Non metal 
achieve stable octet structure 
CI 
shared pair electron 
Covalent Bonding 
Electrostatic forces attraction between 
nucleus with shared pair electron 
2.8.8 
2.8.7 
Sharing 
electron 
Gp 17 Non metal 
2.8.8 
CI 
Non metal 
•High EN value 
•Gain electron (anion) 
•Electronegative ions 
Covalent Bonding 
CI 
CI 
Lewis structure/diagram 
. Electron cross dot 
. Valence/bonding pair electron 
CI 
CI 
: 
x x 
: 
: 
: 
. 
x 
x 
X 
x 
x 
x x 
CI 
CI 
: 
: 
x 
x 
x 
x 
CI 
CI 
Non metal 
•High EN value 
•Gain electron (anion) 
•Electronegative ions 
Single covalent bond – shared pair electron
: 
. 
CI 
. 
. 
x 
Bond 
Bond order 
Bond strength 
Bond length/pm 
C - C 
1 
347 
154 
C = C 
2 
612 
134 
C Ξ C 
3 
820 
120 
N - N 
1 
159 
145 
N = N 
2 
418 
123 
N Ξ N 
3 
914 
110 
Bond length and Bond strength 
Bond length = 0.199nm 
Lewis structure/diagram 
. Electron cross dot 
. Valence/bonding pair electron 
CI 
CI 
: 
x 
x 
: 
: 
: 
: 
. 
x 
x 
X 
X 
x x 
x x 
O 
CI 
CI 
: 
: 
x 
x 
x x 
x x 
CI 
CI 
O 
O 
: 
x x 
O 
N 
O 
O 
N 
: 
Lewis structure/diagram 
. Electron cross dot 
. Valence/bonding pair electron 
Lewis structure/diagram 
. Electron cross dot 
. Valence/bonding pair electron 
O 
: 
: 
. 
N 
N 
: 
N 
N 
: 
Triple bond > Double bond > Single bond 
Bonding pair e 
-involve in bonding 
Bond length decrease 
Bond strength Increase 
(Double/Triple bond) 
Bond length = 0.121nm 
Bond length = 0.110nm 
Bond order up – Bond strength up – Bond length down 
O 
: 
Non bonding pair 
(Lone pair electron) 
Bonding 
pair electron 
C 
O 
: 
: 
Bonding pair electron 
Dative bond 
(electron pair of oxy) 
Types of bonding 
Lone pair e 
–not involve in bonding 
Dative/coordinate bond 
- pair e come from an atom 
Exception to octet rule 
All period 2 element 
- observe octet rule 
except Be and B 
Electron deficient Less than 8 valence e 
Expanded octet More than 8 valence e 
All period 3 element 
- observe octet rule 
except P and S 
: 
Be 
CI 
CI 
x 
. 
: 
: 
: 
: 
: 
x 
x 
. 
Be - 4 valence e 
B 
CI 
CI 
: 
: 
: 
: 
: 
: 
x 
: 
: 
B - 6 valence e 
P 
S 
CI 
CI 
CI 
CI 
CI 
CI 
CI 
CI 
CI 
CI 
CI 
P - 10 valence e 
S – 12 valence e
Valence Shell Electron Pair Repulsion 
Predict molecular shape/geometry 
Shape determine by electron pairs/ 
electron charge centers/ECC 
Bonding/lone pair – repel each other 
Bonding/lone pair arrange themselves as far as possible 
(minimise repulsion) 
Valence 
Shell 
Electron 
Pair 
Repulsion 
NOT surrounding atoms 
N 
H 
H 
H 
.. 
Principles of VSEPR 
Shape of molecule 
Determine number valence e around central atom 
1 
2 
Single, double, triple bond , lone pair act as electron 
charge center/ECC 
3 
4 
Lone pair-lone pair > Lone pair-bonding pair > bonding pair- bonding pair repulsion 
5 
6 
ECC or electron pair position in equatorial first, then axial 
Excellent VSEPR simulation Click here 
✓ 
Click here VSEPR notes 
Lewis structure 
VSEPR 
.. 
N 
H 
H 
H 
Shape 
Click here VSEPR simulation
Valence Shell Electron Pair Repulsion 
Bonding/lone pair arrange themselves as far as possible 
(minimise repulsion) 
Principles of VSEPR 
Determine number valence e around central atom 
1 
2 
Single, double, triple bond , lone pair act as electron charge center/ECC 
3 
Bonding/lone pair repel each other 
Lone /lone pair > Lone /bond pair > bond/bond pair repulsion 
4 
5 
For 5/6 ECC: 
ECC position in equatorial first, then axial 
.. 
N 
H 
H 
H 
3 bonding pair 
1 lone pair 
4 ECC 
N – central atom 
3 ECC 
C 
H 
= 
O 
H 
H 
C 
N 
2 ECC 
O 
H 
H 
4 ECC 
> 
> 
1 lone pair 
2 lone pair 
0 lone pair 
Repulsion greater - Bond angle smaller 
Repulsion greater 
Repulsion greater 
✓ 
ECC far apart – Bond angle greatest – minimise repulsion 
6 
Lone pair need more space 
Multiple bonds more space 
Unequal repulsion 
Equal repulsion 
90° 
120° 
109.5° 
107° 
180°
Valence Shell Electron Pair Repulsion 
Predict molecular shape/geometry 
Shape determine by electron pairs/ 
electron charge centers/ECC 
Bonding/lone pair – repel each other 
Bonding/lone pair arrange themselves as far as possible (minimise repulsion) 
Valence 
Shell 
Electron 
Pair 
Repulsion 
N 
H 
H 
H 
.. 
Principles of VSEPR 
Shape of molecule 
Determine number valence e around central atom 
1 
2 
Single, double, triple bond , lone pair act as electron charge center/ECC 
3 
4 
Lone pair-lone pair > Lone pair-bonding pair > bonding pair- bonding pair repulsion 
5 
6 
ECC or electron pair position in equatorial first, then axial 
Lewis structure 
VSEPR 
.. 
N 
H 
H 
H 
Geometry 
4 ECC 
3 bonding pair 
1 lone pair 
Trigonal pyrimidal 
1 
2 
3 
Bond pair electron 
•Occupy smaller region space bet nuclei 
•Repulsion less 
Lone pair electron 
nucleus 
> 
Bonding pair electron 
Concept Map 
nuclei 
Lone pair electron 
•Electron pair occupy greater space 
•Repel any bonding pair nearby 
•Lone pair repulsion > bonding pair repulsion 
Double bond 
•Repulsion greater 
•Angle smaller, 111.4° 
B 
F 
F 
F 
Single bond 
•Equal repulsion 
•Angle 120° 
120° 
120° 
120° 
space occupy by electron 
space occupy by electron
Valence 
Shell 
Electron 
Pair 
Repulsion 
N 
H 
H 
H 
.. 
Shape of molecule 
.. 
N 
H 
H 
H 
Geometry 
4 ECC 
3 bonding pair 
1 lone pair 
Trigonal pyrimidal 
1 
2 
3 
Lewis Theory 
VSEPR 
Valence Bond Theory 
- Atomic orbital overlap - Electron localized in overlap region 
-Electron density between nuclei 
-Lewis structure 
-Valence electron involve in bonding 
-Localized region space 
-Sharing of valence electron 
Using VSEPR predict shape 
Shape Molecule 
Quantum mechanics approach 
1s orbital 
1s orbital 
1s orbital 
2p orbital 
2p orbital 
2p orbital 
Localized electron pair 
Electron density/cloud 
1s 
1s 
Attraction bet nuclei with electron cloud 
Minimum energy, most stable, bond length 
Too near repulsion bet +ve nuclei
Atomic Orbitals 
n= 1 
n= 2 
l=0 
1s sublevel 
l=0 
l=1 
2s sublevel 
2p sublevel 
n= 3 
l=1 
l=2 
l=0 
3s sublevel 
3p sublevel 
3d sublevel 
ml =0 
ml =0 
ml = 0 
ml =-1 
ml =+1 
ml = 0 
ml = 0 
ml =-1 
ml =+1 
ml =+1 
ml =-1 
ml =+2 
ml =-2 
ml = 0 
1s orbital 
2s orbital 
2px orbital 
2py orbital 
2pz orbital 
3s orbital 
3px orbital 
3py orbital 
3pz orbital 
3dxy orbital 
3dxz orbital 
3dyz orbital 
3dz2 orbital 
3dx2 – y2orbital 
Click here to view simulation 
Energy Level 
Valence Bond Theory 
Atomic orbital overlap Electron localized in overlap region Electron density bet nuclei 
1s orbital 
1s orbital 
2p orbital 
1s orbital 
2p orbital 
2p orbital 
Localized electron pair 
Click here hybridization notes 
Click here orbital overlap
sigma bond 
Valence Bond Theory 
overlap 
Molecular orbital sigma bond 
Sigma σ bond 
•2 atomic orbital overlap 
•End to end overlap along internuclear axis 
•Overlap of orbitals between nuclei 
•Constructive interference 
Pi π bond 
•2 p orbital overlap sideways 
•Overlap of unhybridized/parallel p orbital 
•Parallel p orbital overlaps 
•Sideway interaction of 2 p orbitals 
+ 
Atomic orbital overlap 
+ 
internuclear axis 
overlap 
Atomic orbital overlap 
+ 
+ 
Molecular orbital pi bond 
+ 
Sigma bond stronger- greater orbital overlap 
Pi bond weaker - less orbital overlap
One s orbital + One p orbital → TWO sp hybrid orbital 
Hybridization Theory 
Mixing of atomic orbital to form new hybrid orbital for bonding Atomic orbital + Atomic orbital → Hybrid orbital 
+ 
One s orbital + Two p orbital → THREE sp2 hybrid orbital 
+ 
+ 
One s orbital + Three p orbital → FOUR sp3 hybrid orbital 
+ 
+ 
+ 
Correlation between VSEPR and Hybridization Theory 
Formula 
Lewis Structure 
VSEPR 
Hybridization 
NH3 
1 
2 
3 
4 
H 
H 
H 
VSEPR 
Electron Domain 
Electron charge center 
Hybridization 
2 
sp 
3 
sp2 
4 
sp3 
5 
dsp3 
6 
d2sp3 
1 
2 
3 
4 
Atomic orbital 
Type of 
Hybridization 
Number 
Hybrid orbitals 
VSEPR 
Number Electron 
domain 
VSEPR 
Electron geometry 
domain 
s,p 
sp 
2 
2 
Linear 
s,p,p 
sp2 
3 
3 
Trigonal planar 
s,p,p,p 
sp3 
4 
4 
Tetrahedral 
s,p,p,p,d 
dsp3 
5 
5 
Trigonal 
Bipyrimidal 
s,p,p,p,d,d 
d2sp3 
6 
6 
Octahedral 
Relationship between VSEPR and Hybridization 
25% s character 75% p character 
33% s character 66% p character 
50% s character 
50% p character 
Click here for simulation 
✓ 
Excellent simulation
Valence Shell Electron Pair Repulsion 
N 
H 
H 
H 
.. 
Shape of molecule 
.. 
N 
H 
H 
H 
Geometry 
4 ECC 3 bonding pair 1 lone pair 
Trigonal pyrimidal 
1 
2 
3 
Lewis Theory 
VSEPR 
Valence Bond Theory 
- Atomic orbital overlap - Electron localized in overlap region 
-Electron density between nuclei 
-Lewis structure 
-Valence electron involve in bonding 
-Localized region space 
-Sharing of valence electron 
Using VSEPR 
predict shape 
Shape Molecule 
-Quantum mechanics approach 
-Strength covalent bond proportional to overlap bet orbitals 
-Greater overlap – stronger bond 
-Atom undergo hybridization to maximize overlap 
-Wave combine constructive/destructively form hybrid orbital 
1s orbital 
1s orbital 
1s orbital 
2p orbital 
2p orbital 
2p orbital 
Localized electron pair 
Orbital - Probability of finding electron in a region space - Cloud of probability - Not possible determine exact location electron - Electron density 
Electron cloud
1s 
sp hybridization, Beryllium hydride, BeH2 
1s 
2s 
2p 
4Be - 1s2 2s2 
1s 
2p 
High energy 
Ground state 
Excited state 
excited 
Hybridized state 
sp 
sp 
2py 
2pz 
2s 
sp hybridization 
+ 
s orbital 
p orbital 
sp hybrid orbital 
+ 
+ 
Be 
H – Be - H 
sp2 hybridization Boron hydride, BH3 
High energy 
5B - 1s2 2s3 
Ground state 
2s 
1s 
2p 
1s 
2s 
2p 
1s 
2p 
excited 
+ 
+ 
sp2 hybridization 
sp2 
sp2 
sp2 
B 
Excited state 
Hybridized state 
Be – sp hybridization 
B – sp2 hybridization 
B 
- TWO sp hybrid orbitals 
- Linear electron distribution 
- 2 bonding pair 
- sp orbital Be overlap 
with s orbital hydrogen 
- THREE sp2 hybrid orbitals - Trigonal electron distribution - 3 bonding pair - sp2 orbital B overlap with s orbital hydrogen 
B 
H 
H 
H
1s 
sp3 hybridization methane, CH4 
1s 
2s 
2p 
6C - 1s2 2s22p2 
1s 
2p 
Ground state 
Excited state 
excited 
Hybridized state 
2s 
sp3 hybridization 
+ 
sp3 hybridization ammonia NH3 
Ground state 
2s 
1s 
2p 
1s 
2s 
2p 
1s 
excited 
+ 
sp3 
hybridization 
sp3 
sp3 
sp3 
Excited state 
Hybridized state 
sp3 
sp3 
sp3 
sp3 
C 
+ 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 4 bonding pair - sp3 orbital carbon overlap with s orbital hydrogen 
7N - 1s2 2s22p3 
sp3 
+ 
NH3 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 3 Bonding pair/1 lone pair - sp3 orbital nitrogen overlap with s orbital hydrogen 
CH4
2p 
2s 
1s 
2p 
1s 
sp2 hybridization ethene, C2H4 
1s 
2s 
2p 
6C - 1s2 2s22p4 
1s 
2p 
Ground state 
Excited state 
excited 
Hybridized state 
2s 
sp2 hybridization 
+ 
sp2 
sp2 
sp2 
unhybridized 2p orbital 
C2H4 
sp hybridization ethyne, C2H2 
6C - 1s2 2s22p4 
Ground state 
1s 
2s 
sp hybridization 
+ 
unhybridized 2p orbital 
sp 
sp 
unhybridized 2p orbital overlap form π bond 
unhybridized 2p orbital overlap form π bond 
π bond 
Click here to view hybridization 
Click here hybridization theory 
Video on hybridization 
C 
C
2p 
2s 
1s 
2p 
1s 
sp2 hybridization methanal, H2CO 
1s 
2s 
2p 
6C - 1s2 2s22p4 
1s 
2p 
Ground state 
Excited state 
excited 
Hybridized state 
2s 
sp2 hybridization 
+ 
sp2 
sp2 
sp2 
unhybridized 2p orbital 
6C - 1s2 2s22p4 
Ground state 
1s 
2s 
sp hybridization 
+ 
unhybridized 2p orbital 
sp 
sp 
unhybridized 2p orbital overlap form π bond 
unhybridized 2p orbital carbon overlap form π bond 
sp hybridization carbon dioxide, CO2 
C 
sp hybridization C 
sp2 hybridization O 
C 
C 
Oxygen sp2 hybridization
1s 
sp3 hybridization water H2O 
1s 
2s 
2p 
8O - 1s2 2s22p4 
1s 
2p 
excited 
2s 
sp3 hybridization 
+ 
sp3 hybridization phosphorus trichloride PCI3 
Ground state 
2s 
1s 
2p 
1s 
2s 
2p 
1s 
excited 
+ 
sp3 
sp3 
sp3 
Excited state 
Hybridized state 
sp3 
sp3 
sp3 
sp3 
O 
+ 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 2 bonding pair/ 2 lone pair - sp3 orbital oxygen overlap with s orbital hydrogen 
15P - 1s2 2s22p63s23p3 
sp3 
+ 
PCI3 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 3 bonding pair/1 lone pair - sp3 orbital phosphorus overlap with p orbital chlorine 
H2O 
3s 
3p 
3s 
3p 
2s 
2p 
sp3 hybridization 
CI 3p 
P 
P 
P 
O 
H 
H 
CI 
CI 
CI 
:
1s 
1s 
2p 
excited 
2s 
sp3 hybridization 
dsp3 hybridization phosphorus pentachloride PCI5 
Ground state 
2s 
1s 
2p 
1s 
2s 
2p 
1s 
excited 
Excited state 
Hybridized state 
sp3 
15P - 1s2 2s22p63s23p3 
PCI3 
- Five dsp3 hybrid orbitals - Trigonal bipyrimidal electron distribution - 5 Bonding pair - dsp3 orbital phosphorus overlap with p orbital chlorine 
3s 
3p 
3s 
3p 
2s 
2p 
dsp3 hybridization 
CI 3p 
P 
P 
CI 
CI 
CI 
1s 
2s 
2p 
3s 
3p 
3s 
3p 
2s 
2p 
sp3 
sp3 
sp3 
CI 3p 
+ 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 3 bonding pair/1 lone pair - sp3 orbital phosphorus overlap with p orbital chlorine 
P 
3d 
3d 
5 dsp3 
+ 
Phosphorus exist as PCI3 or PCI5 
sp3 hybridization phosphorus trichloride PCI3 
Expanded Octet 
✓ 
P 
Click here to view 
:
1s 
1s 
2p 
excited 
2s 
sp3 hybridization 
dsp3 hybridization SF4 
Ground state 
2s 
1s 
2p 
1s 
2s 
2p 
1s 
excited 
Excited state 
Hybridized state 
sp3 
15S - 1s2 2s22p63s23p6 
SF2 
- Five dsp3 hybrid orbitals - Trigonal bipyrimidal electron distribution - 4 bonding pair/1 lone pair - dsp3 orbital sulfur overlap with p orbital fluorine 
3s 
3p 
3s 
3p 
2s 
2p 
dsp3 
hybridization 
F 3p 
S 
S 
F 
F 
1s 
2s 
2p 
3s 
3p 
3s 
3p 
2s 
2p 
sp3 
sp3 
sp3 
F 3p 
+ 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 2 bonding pair/2 lone pair - sp3 orbital sulfur overlap with p orbital fluorine 
S 
3d 
3d 
5 dsp3 
+ 
Sulfur exist as SF2, SF4 or SF6 
sp3 hybridization SF2 
Expanded Octet 
F 
F 
F 
F 
S 
SF4 
: 
S 
✓
1s 
1s 
2p 
excited 
2s 
sp3 hybridization 
d2sp3 hybridization SF6 
Ground state 
2s 
1s 
2p 
1s 
2s 
2p 
1s 
excited 
Excited state 
Hybridized state 
sp3 
15S - 1s2 2s22p63s23p6 
SF2 
- Six d2sp3 hybrid orbitals - Octahedral electron distribution - 6 Bonding pair - d2sp3 orbital sulfur overlap with p orbital fluorine 
3s 
3p 
3s 
3p 
2s 
2p 
d2sp3 hybridization 
F 3p 
S 
1s 
2s 
2p 
3s 
3p 
3s 
3p 
2s 
2p 
sp3 
sp3 
sp3 
F 3p 
+ 
- Four sp3 hybrid orbitals - Tetrahedral electron distribution - 2 Bonding pair/2 lone pair - sp3 orbital sulfur overlap with p orbital fluorine 
S 
3d 
3d 
6 d2sp3 
+ 
Sulfur exist as SF2, SF4 or SF6 
sp3 hybridization SF2 
Expanded Octet 
SF6 
3d 
F 
F 
S 
: 
S 
✓
IB Question 
State the type of hybridization shaded in red 
CO2 
SO3 
SO2 
CH4 
NH3 
H2O 
H2CO 
CH3COOH 
XeF2 
CIF3 
CO32- 
NO2- 
BrF5 
XeF4 
sp 
: 
sp2 
sp2 
sp3 
sp2 
sp3 
sp2 
sp2 
sp2 
d2sp3 
dsp3 
dsp3 
d2sp3 
sp3 
State the hybridization shaded in red and number of sigma and pi bonds 
sigma bonds 
pi bond 
C- sp2 
N- sp3 
: 
: 
: 
: 
C 
C 
: 
N- sp3 
N- sp3 
C- sp2 
C- sp2 
C - sp3 
19 sigma bonds 2 pi bonds 
12 sigma bonds 2 pi bonds 
5 sigma bonds 1 pi bond 
C- sp2 
C- sp3
ECC 
Bonding Pair 
Lone 
Pair 
Electron Distribution Electron geometry domain 
Hybridization 
s, p 
VSEPR 
Atomic 
orbitals 
Type of Hybridization 
sp 
Number of Hybrid orbitals 
s, p, p 
s, p, p, p 
s, p, p, p, d 
s, p, p, p, d, d 
sp2 
sp3 
dsp3 
d2sp3 
linear 
Trigonal planar 
Tetrahedral 
Trigonal Bipyrimidal 
Octahedral 
Shape/Geometry 
linear 
s, p, p 
sp2 
Trigonal planar 
Tetrahedral 
Tetrahedral 
s, p, p, p 
s, p, p, p 
sp3 
sp3 
.. 
Trigonal Bipyrimidal 
s, p, p, p, d 
dsp3 
Trigonal Bipyrimidal 
s, p, p, p, d 
dsp3 
Trigonal Bipyrimidal 
s, p, p, p, d 
dsp3 
Octahedral 
Octahedral 
s, p, p, p, d, d 
s, p, p, p, d, d 
d2sp3 
d2sp3 
.. 
.. 
.. 
.. 
.. 
Trigonal planar 
Bend V shape 
Tetrahedral 
Trigonal pyrimidal 
Bend V shape 
Trigonal 
Bipyrimidal 
Seesaw 
T shape 
Linear 
Octahedral 
Square pyrimidal 
Square planar

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IB Chemistry on Valence Bond and Hybridization Theory

  • 1. brown liquid Click here simulation on covalent bond yellow gas greenish gas violet solid Covalent bonding between non metals 2.8.7 Gp 17 Non metal achieve stable octet structure CI shared pair electron Covalent Bonding Electrostatic forces attraction between nucleus with shared pair electron 2.8.8 2.8.7 Sharing electron Gp 17 Non metal 2.8.8 CI Non metal •High EN value •Gain electron (anion) •Electronegative ions Covalent Bonding CI CI Lewis structure/diagram . Electron cross dot . Valence/bonding pair electron CI CI : x x : : : . x x X x x x x CI CI : : x x x x CI CI Non metal •High EN value •Gain electron (anion) •Electronegative ions Single covalent bond – shared pair electron
  • 2. : . CI . . x Bond Bond order Bond strength Bond length/pm C - C 1 347 154 C = C 2 612 134 C Ξ C 3 820 120 N - N 1 159 145 N = N 2 418 123 N Ξ N 3 914 110 Bond length and Bond strength Bond length = 0.199nm Lewis structure/diagram . Electron cross dot . Valence/bonding pair electron CI CI : x x : : : : . x x X X x x x x O CI CI : : x x x x x x CI CI O O : x x O N O O N : Lewis structure/diagram . Electron cross dot . Valence/bonding pair electron Lewis structure/diagram . Electron cross dot . Valence/bonding pair electron O : : . N N : N N : Triple bond > Double bond > Single bond Bonding pair e -involve in bonding Bond length decrease Bond strength Increase (Double/Triple bond) Bond length = 0.121nm Bond length = 0.110nm Bond order up – Bond strength up – Bond length down O : Non bonding pair (Lone pair electron) Bonding pair electron C O : : Bonding pair electron Dative bond (electron pair of oxy) Types of bonding Lone pair e –not involve in bonding Dative/coordinate bond - pair e come from an atom Exception to octet rule All period 2 element - observe octet rule except Be and B Electron deficient Less than 8 valence e Expanded octet More than 8 valence e All period 3 element - observe octet rule except P and S : Be CI CI x . : : : : : x x . Be - 4 valence e B CI CI : : : : : : x : : B - 6 valence e P S CI CI CI CI CI CI CI CI CI CI CI P - 10 valence e S – 12 valence e
  • 3. Valence Shell Electron Pair Repulsion Predict molecular shape/geometry Shape determine by electron pairs/ electron charge centers/ECC Bonding/lone pair – repel each other Bonding/lone pair arrange themselves as far as possible (minimise repulsion) Valence Shell Electron Pair Repulsion NOT surrounding atoms N H H H .. Principles of VSEPR Shape of molecule Determine number valence e around central atom 1 2 Single, double, triple bond , lone pair act as electron charge center/ECC 3 4 Lone pair-lone pair > Lone pair-bonding pair > bonding pair- bonding pair repulsion 5 6 ECC or electron pair position in equatorial first, then axial Excellent VSEPR simulation Click here ✓ Click here VSEPR notes Lewis structure VSEPR .. N H H H Shape Click here VSEPR simulation
  • 4. Valence Shell Electron Pair Repulsion Bonding/lone pair arrange themselves as far as possible (minimise repulsion) Principles of VSEPR Determine number valence e around central atom 1 2 Single, double, triple bond , lone pair act as electron charge center/ECC 3 Bonding/lone pair repel each other Lone /lone pair > Lone /bond pair > bond/bond pair repulsion 4 5 For 5/6 ECC: ECC position in equatorial first, then axial .. N H H H 3 bonding pair 1 lone pair 4 ECC N – central atom 3 ECC C H = O H H C N 2 ECC O H H 4 ECC > > 1 lone pair 2 lone pair 0 lone pair Repulsion greater - Bond angle smaller Repulsion greater Repulsion greater ✓ ECC far apart – Bond angle greatest – minimise repulsion 6 Lone pair need more space Multiple bonds more space Unequal repulsion Equal repulsion 90° 120° 109.5° 107° 180°
  • 5. Valence Shell Electron Pair Repulsion Predict molecular shape/geometry Shape determine by electron pairs/ electron charge centers/ECC Bonding/lone pair – repel each other Bonding/lone pair arrange themselves as far as possible (minimise repulsion) Valence Shell Electron Pair Repulsion N H H H .. Principles of VSEPR Shape of molecule Determine number valence e around central atom 1 2 Single, double, triple bond , lone pair act as electron charge center/ECC 3 4 Lone pair-lone pair > Lone pair-bonding pair > bonding pair- bonding pair repulsion 5 6 ECC or electron pair position in equatorial first, then axial Lewis structure VSEPR .. N H H H Geometry 4 ECC 3 bonding pair 1 lone pair Trigonal pyrimidal 1 2 3 Bond pair electron •Occupy smaller region space bet nuclei •Repulsion less Lone pair electron nucleus > Bonding pair electron Concept Map nuclei Lone pair electron •Electron pair occupy greater space •Repel any bonding pair nearby •Lone pair repulsion > bonding pair repulsion Double bond •Repulsion greater •Angle smaller, 111.4° B F F F Single bond •Equal repulsion •Angle 120° 120° 120° 120° space occupy by electron space occupy by electron
  • 6. Valence Shell Electron Pair Repulsion N H H H .. Shape of molecule .. N H H H Geometry 4 ECC 3 bonding pair 1 lone pair Trigonal pyrimidal 1 2 3 Lewis Theory VSEPR Valence Bond Theory - Atomic orbital overlap - Electron localized in overlap region -Electron density between nuclei -Lewis structure -Valence electron involve in bonding -Localized region space -Sharing of valence electron Using VSEPR predict shape Shape Molecule Quantum mechanics approach 1s orbital 1s orbital 1s orbital 2p orbital 2p orbital 2p orbital Localized electron pair Electron density/cloud 1s 1s Attraction bet nuclei with electron cloud Minimum energy, most stable, bond length Too near repulsion bet +ve nuclei
  • 7. Atomic Orbitals n= 1 n= 2 l=0 1s sublevel l=0 l=1 2s sublevel 2p sublevel n= 3 l=1 l=2 l=0 3s sublevel 3p sublevel 3d sublevel ml =0 ml =0 ml = 0 ml =-1 ml =+1 ml = 0 ml = 0 ml =-1 ml =+1 ml =+1 ml =-1 ml =+2 ml =-2 ml = 0 1s orbital 2s orbital 2px orbital 2py orbital 2pz orbital 3s orbital 3px orbital 3py orbital 3pz orbital 3dxy orbital 3dxz orbital 3dyz orbital 3dz2 orbital 3dx2 – y2orbital Click here to view simulation Energy Level Valence Bond Theory Atomic orbital overlap Electron localized in overlap region Electron density bet nuclei 1s orbital 1s orbital 2p orbital 1s orbital 2p orbital 2p orbital Localized electron pair Click here hybridization notes Click here orbital overlap
  • 8. sigma bond Valence Bond Theory overlap Molecular orbital sigma bond Sigma σ bond •2 atomic orbital overlap •End to end overlap along internuclear axis •Overlap of orbitals between nuclei •Constructive interference Pi π bond •2 p orbital overlap sideways •Overlap of unhybridized/parallel p orbital •Parallel p orbital overlaps •Sideway interaction of 2 p orbitals + Atomic orbital overlap + internuclear axis overlap Atomic orbital overlap + + Molecular orbital pi bond + Sigma bond stronger- greater orbital overlap Pi bond weaker - less orbital overlap
  • 9. One s orbital + One p orbital → TWO sp hybrid orbital Hybridization Theory Mixing of atomic orbital to form new hybrid orbital for bonding Atomic orbital + Atomic orbital → Hybrid orbital + One s orbital + Two p orbital → THREE sp2 hybrid orbital + + One s orbital + Three p orbital → FOUR sp3 hybrid orbital + + + Correlation between VSEPR and Hybridization Theory Formula Lewis Structure VSEPR Hybridization NH3 1 2 3 4 H H H VSEPR Electron Domain Electron charge center Hybridization 2 sp 3 sp2 4 sp3 5 dsp3 6 d2sp3 1 2 3 4 Atomic orbital Type of Hybridization Number Hybrid orbitals VSEPR Number Electron domain VSEPR Electron geometry domain s,p sp 2 2 Linear s,p,p sp2 3 3 Trigonal planar s,p,p,p sp3 4 4 Tetrahedral s,p,p,p,d dsp3 5 5 Trigonal Bipyrimidal s,p,p,p,d,d d2sp3 6 6 Octahedral Relationship between VSEPR and Hybridization 25% s character 75% p character 33% s character 66% p character 50% s character 50% p character Click here for simulation ✓ Excellent simulation
  • 10. Valence Shell Electron Pair Repulsion N H H H .. Shape of molecule .. N H H H Geometry 4 ECC 3 bonding pair 1 lone pair Trigonal pyrimidal 1 2 3 Lewis Theory VSEPR Valence Bond Theory - Atomic orbital overlap - Electron localized in overlap region -Electron density between nuclei -Lewis structure -Valence electron involve in bonding -Localized region space -Sharing of valence electron Using VSEPR predict shape Shape Molecule -Quantum mechanics approach -Strength covalent bond proportional to overlap bet orbitals -Greater overlap – stronger bond -Atom undergo hybridization to maximize overlap -Wave combine constructive/destructively form hybrid orbital 1s orbital 1s orbital 1s orbital 2p orbital 2p orbital 2p orbital Localized electron pair Orbital - Probability of finding electron in a region space - Cloud of probability - Not possible determine exact location electron - Electron density Electron cloud
  • 11. 1s sp hybridization, Beryllium hydride, BeH2 1s 2s 2p 4Be - 1s2 2s2 1s 2p High energy Ground state Excited state excited Hybridized state sp sp 2py 2pz 2s sp hybridization + s orbital p orbital sp hybrid orbital + + Be H – Be - H sp2 hybridization Boron hydride, BH3 High energy 5B - 1s2 2s3 Ground state 2s 1s 2p 1s 2s 2p 1s 2p excited + + sp2 hybridization sp2 sp2 sp2 B Excited state Hybridized state Be – sp hybridization B – sp2 hybridization B - TWO sp hybrid orbitals - Linear electron distribution - 2 bonding pair - sp orbital Be overlap with s orbital hydrogen - THREE sp2 hybrid orbitals - Trigonal electron distribution - 3 bonding pair - sp2 orbital B overlap with s orbital hydrogen B H H H
  • 12. 1s sp3 hybridization methane, CH4 1s 2s 2p 6C - 1s2 2s22p2 1s 2p Ground state Excited state excited Hybridized state 2s sp3 hybridization + sp3 hybridization ammonia NH3 Ground state 2s 1s 2p 1s 2s 2p 1s excited + sp3 hybridization sp3 sp3 sp3 Excited state Hybridized state sp3 sp3 sp3 sp3 C + - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 4 bonding pair - sp3 orbital carbon overlap with s orbital hydrogen 7N - 1s2 2s22p3 sp3 + NH3 - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 3 Bonding pair/1 lone pair - sp3 orbital nitrogen overlap with s orbital hydrogen CH4
  • 13. 2p 2s 1s 2p 1s sp2 hybridization ethene, C2H4 1s 2s 2p 6C - 1s2 2s22p4 1s 2p Ground state Excited state excited Hybridized state 2s sp2 hybridization + sp2 sp2 sp2 unhybridized 2p orbital C2H4 sp hybridization ethyne, C2H2 6C - 1s2 2s22p4 Ground state 1s 2s sp hybridization + unhybridized 2p orbital sp sp unhybridized 2p orbital overlap form π bond unhybridized 2p orbital overlap form π bond π bond Click here to view hybridization Click here hybridization theory Video on hybridization C C
  • 14. 2p 2s 1s 2p 1s sp2 hybridization methanal, H2CO 1s 2s 2p 6C - 1s2 2s22p4 1s 2p Ground state Excited state excited Hybridized state 2s sp2 hybridization + sp2 sp2 sp2 unhybridized 2p orbital 6C - 1s2 2s22p4 Ground state 1s 2s sp hybridization + unhybridized 2p orbital sp sp unhybridized 2p orbital overlap form π bond unhybridized 2p orbital carbon overlap form π bond sp hybridization carbon dioxide, CO2 C sp hybridization C sp2 hybridization O C C Oxygen sp2 hybridization
  • 15. 1s sp3 hybridization water H2O 1s 2s 2p 8O - 1s2 2s22p4 1s 2p excited 2s sp3 hybridization + sp3 hybridization phosphorus trichloride PCI3 Ground state 2s 1s 2p 1s 2s 2p 1s excited + sp3 sp3 sp3 Excited state Hybridized state sp3 sp3 sp3 sp3 O + - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 2 bonding pair/ 2 lone pair - sp3 orbital oxygen overlap with s orbital hydrogen 15P - 1s2 2s22p63s23p3 sp3 + PCI3 - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 3 bonding pair/1 lone pair - sp3 orbital phosphorus overlap with p orbital chlorine H2O 3s 3p 3s 3p 2s 2p sp3 hybridization CI 3p P P P O H H CI CI CI :
  • 16. 1s 1s 2p excited 2s sp3 hybridization dsp3 hybridization phosphorus pentachloride PCI5 Ground state 2s 1s 2p 1s 2s 2p 1s excited Excited state Hybridized state sp3 15P - 1s2 2s22p63s23p3 PCI3 - Five dsp3 hybrid orbitals - Trigonal bipyrimidal electron distribution - 5 Bonding pair - dsp3 orbital phosphorus overlap with p orbital chlorine 3s 3p 3s 3p 2s 2p dsp3 hybridization CI 3p P P CI CI CI 1s 2s 2p 3s 3p 3s 3p 2s 2p sp3 sp3 sp3 CI 3p + - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 3 bonding pair/1 lone pair - sp3 orbital phosphorus overlap with p orbital chlorine P 3d 3d 5 dsp3 + Phosphorus exist as PCI3 or PCI5 sp3 hybridization phosphorus trichloride PCI3 Expanded Octet ✓ P Click here to view :
  • 17. 1s 1s 2p excited 2s sp3 hybridization dsp3 hybridization SF4 Ground state 2s 1s 2p 1s 2s 2p 1s excited Excited state Hybridized state sp3 15S - 1s2 2s22p63s23p6 SF2 - Five dsp3 hybrid orbitals - Trigonal bipyrimidal electron distribution - 4 bonding pair/1 lone pair - dsp3 orbital sulfur overlap with p orbital fluorine 3s 3p 3s 3p 2s 2p dsp3 hybridization F 3p S S F F 1s 2s 2p 3s 3p 3s 3p 2s 2p sp3 sp3 sp3 F 3p + - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 2 bonding pair/2 lone pair - sp3 orbital sulfur overlap with p orbital fluorine S 3d 3d 5 dsp3 + Sulfur exist as SF2, SF4 or SF6 sp3 hybridization SF2 Expanded Octet F F F F S SF4 : S ✓
  • 18. 1s 1s 2p excited 2s sp3 hybridization d2sp3 hybridization SF6 Ground state 2s 1s 2p 1s 2s 2p 1s excited Excited state Hybridized state sp3 15S - 1s2 2s22p63s23p6 SF2 - Six d2sp3 hybrid orbitals - Octahedral electron distribution - 6 Bonding pair - d2sp3 orbital sulfur overlap with p orbital fluorine 3s 3p 3s 3p 2s 2p d2sp3 hybridization F 3p S 1s 2s 2p 3s 3p 3s 3p 2s 2p sp3 sp3 sp3 F 3p + - Four sp3 hybrid orbitals - Tetrahedral electron distribution - 2 Bonding pair/2 lone pair - sp3 orbital sulfur overlap with p orbital fluorine S 3d 3d 6 d2sp3 + Sulfur exist as SF2, SF4 or SF6 sp3 hybridization SF2 Expanded Octet SF6 3d F F S : S ✓
  • 19. IB Question State the type of hybridization shaded in red CO2 SO3 SO2 CH4 NH3 H2O H2CO CH3COOH XeF2 CIF3 CO32- NO2- BrF5 XeF4 sp : sp2 sp2 sp3 sp2 sp3 sp2 sp2 sp2 d2sp3 dsp3 dsp3 d2sp3 sp3 State the hybridization shaded in red and number of sigma and pi bonds sigma bonds pi bond C- sp2 N- sp3 : : : : C C : N- sp3 N- sp3 C- sp2 C- sp2 C - sp3 19 sigma bonds 2 pi bonds 12 sigma bonds 2 pi bonds 5 sigma bonds 1 pi bond C- sp2 C- sp3
  • 20. ECC Bonding Pair Lone Pair Electron Distribution Electron geometry domain Hybridization s, p VSEPR Atomic orbitals Type of Hybridization sp Number of Hybrid orbitals s, p, p s, p, p, p s, p, p, p, d s, p, p, p, d, d sp2 sp3 dsp3 d2sp3 linear Trigonal planar Tetrahedral Trigonal Bipyrimidal Octahedral Shape/Geometry linear s, p, p sp2 Trigonal planar Tetrahedral Tetrahedral s, p, p, p s, p, p, p sp3 sp3 .. Trigonal Bipyrimidal s, p, p, p, d dsp3 Trigonal Bipyrimidal s, p, p, p, d dsp3 Trigonal Bipyrimidal s, p, p, p, d dsp3 Octahedral Octahedral s, p, p, p, d, d s, p, p, p, d, d d2sp3 d2sp3 .. .. .. .. .. Trigonal planar Bend V shape Tetrahedral Trigonal pyrimidal Bend V shape Trigonal Bipyrimidal Seesaw T shape Linear Octahedral Square pyrimidal Square planar