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CHARILYN D. DELA CRUZ
MAED – SCIENCE / RAMON MAGSAYSAY TECHNOLOGICAL UNIVERSITY
MOLECULAR GEOMETRY
Also known as molecular structure, is a three dimensional
arrangement of atoms in a molecule.
Several analytical methods can be used to image
molecules and learn about their vibrational and
rotational absorbance.
Examples include x-ray crystallography, neutron diffraction,
infrared (IR) spectroscopy, Raman spectroscopy,
electron diffraction, and microwave spectroscopy.
The best determination of a structure is made at low temperature because
increasing the temperature gives the molecules more energy, which can lead to
conformation changes.
The molecular geometry of a substance may be different depending on
whether the sample is a solid, liquid, gas, or part of a solution.
LEWIS ELECTRON DOT STRUCTURE
LEDS play a crucial role in determining the geometry of molecules because it
helps us identify the valence electrons.
LEDS helps us to identify the bond pairs and the lone pairs. Then, with the
Lewis Structure we apply the Valence – shell electron pair repulsion (VSEPR)
theory
EXERCISE 1
Draw the LEWIS ELECTRON DOT STRUCTURE of the following molecules.
1. BeCl2
2. BF3
3. SO2
4. CH4
5. NH3
6. H2O
7. CO2
VALENCE SHELL ELECTRON PAIR REPULSION THEORY
(VSEPR)
The VSPER Theory states that electron pairs repel each other
whether or not they are in bond pairs or in lone pairs. Thus,
electron pairs will spread themselves as far from each other as
possible to minimize repulsion
VSPER focuses not only on electron pairs, but it also focus on
electron groups as a whole.
An electron group can be an electron pair, a lone pair, a single
unpaired electron, a double bond, or a triple bond on the central
atom
The shape of a molecule is determined by the
location of the nuclei and its electrons.
The molecule’s shape reflects it equilibrium state in
which it has the lowest possible energy in the
system.
Although VSPER theory predicts the distribution of
electrons, we have to take in consideration of the
actual determinant of the molecular shape.
TWO CATEGORIES: ELECTRON GROUP GEOMETRY and MOLECULAR GEOMETRY
ELECTRON GROUP GEOMETRY is determined by the number of electron
groups
Number of ELECTRON
GROUP
Name of electron group
geometry
2 Linear
3 Trigonal planar
4 Tetrahedral
5 Trigonal – bipyramidal
6 octahedral
Molecular Geometry depends on not only on the
number of electron groups, but also on the number of
lone pairs
When the electron groups are all bond pairs, they
are named exactly like the electron group
geometry.
BOND ANGLES
Bond angles also contribute to the shape of a molecule.
Bond angles are the angles between adjacent lines representing
bonds. The bond angle can help differentiate between linear,
trigonal planar, tetrahedral, trigonal bipyramidal and octahedral
Bond angles are the angles that demonstrate the maximum
angle where it would minimize repulsion thus verifying the
VSEPR Theory.
VSEPR NOTATION
The VSEPR notation for these molecules are AXn. “A” represents the central atom and n
represents the number of bonds with the central atom.
When lone pairs are present, the letter Nx is added. The “x” represents the number of
lone pairs present in the molecule.
Example: A molecule of two bond pairs and two lone pairs have the notation of AX2N2
Let’s Try this
On the next slide identify the shape of following
molecular geometry and electron pair geometry.
ELECTRON PAIR GEOMETRY MOLECULAR GEOMETRY
Linear (AX2)
Trigonal planar
(AX3)
Bent
(AX2N)
Trigonal planar
ELECTRON PAIR GEOMETRY MOLECULAR GEOMETRY
ELECTRON PAIR GEOMETRY MOLECULAR GEOMETRY
Tetrahedral
(AX4)
Trigonal Pyramidal
(AX3N)
Bent (AX2N2)
Tetrahedral
Trigonal
Bipyramidal
(AX5)
Unsymmetrical
Tetrahedron
(AX4N)
T-shaped
(AX3N)
Linear
(AX2N3)
ELECTRON PAIR GEOMETRY MOLECULAR GEOMETRY
Trigonal Bipyramidal
ELECTRON PAIR GEOMETRY
Octahedral
Octahedral
(AX6)
Square
pyramidal
(AX5N)
Square planar
(AX4N2)
MOLECULAR GEOMETRY
lone-pair vs. bonding
pair repulsion
bonding-pair vs. bonding
pair repulsion
lone-pair vs. lone pair
repulsion
Lone Pairs Distort Bond Angles
Multiple Bonds and Molecular Geometry
Multiple bonds count as one –
e.g. 4 bonding pairs around
C, but trigonal planar
instead of tetrahedral.
1. Determine the Lewis structure
2. Determine the number of electron pairs (or
clouds) around the CENTRAL ATOM – multiple bonds count as
ONE CLOUD
3. Find out the appropriate VSEPR geometry for the specified
number of electron pairs, both bonding and lone pairs.
4. Use the positions of atoms to establish the resulting
molecular geometry.
APPLYING VSEPR THEORY
EXERCISE 2
For each of the following molecules, draw the LEDS and tally up the electron pairs.
Then, identify the correct molecular shape and bond angle.
1.Let’s try this
a. PF3
b. CO2
molecule Lewis diagram e- tally shape Bond angle
BeCl2
BF3
SO2
CH4
NH3
cysteine
Molecular Geometries of Molecules
with more than 1 Central Atom
DIPOLE MOMENTS and DETERMINING THE POLARITY OF
MOLECULES
Recall on CHEMICAL BONDING
*Chemical bonding can be described as force that binds atoms together to
form molecules or ionic compounds
*Chemical bonds form because the overall energy of the bonded atoms is
less than the atoms have separately.
*Atoms form bonds to attain noble gas configuration.
Two main types of bonds are formed
IONIC and COVALENT BONDS
Covalent bonds can be Polar or non –polar
NON POLAR AND POLAR COVALENT
BONDING
Non polar covalent bonds form between atoms of relatively equal
electronegativity.
Electrons are shared equally between atoms involved in the bond.
Electron density is basically very similar.
NON POLAR AND POLAR COVALENT
BONDING
Polar covalent bonds form when one of the atoms has a higher
electronegativity than the other.
Electrons are shared unequally between the atoms involved in the bond.
An unequal sharing of electrons exists in polar bonds so the electron cloud is
distorted or polarized.
example;
Carbon Monoxide (CO)
Dipole Moments and Polar Molecules
electron poor region
electron rich region
δ+ δ−
C O
Electron density is polarized
towards the more
electronegative O atom
NON POLAR AND POLAR COVALENT BONDING
Asymmetrical charge distribution creates a dipole moment (µ).
The direction and magnitude of a dipole moment is indicated with an
arrow that points towards the excess negative charge.( or the more
electronegative atom)
POLAR MOLECULES
Molecules with polar covalent bonds may have an over all
molecular shape.
In order to determine if a molecule has an overall dipole, it
is necessary to graphically add the individual bond dipoles
together.
The geometry of the molecule must be taken to account.
DO ALL MOLECULES WITH POLAR BONDS HAVE
AN OVERALL MOLECULAR DIPOLE?
Water (H2O) and CF4 both have a polar covalent bonds.
However water is polar and CF4 is non-polar. Why?
DETERMINING IF A MOLECULE HAS AN OVERALL
MOLECULAR DIPOLE MOMENTS
Step 1
Draw the molecular geometry according to VSEPR
Step 2
Locate all significantly polar bonds in the molecule and draw
dipole moment arrows
DETERMINING IF A MOLECULE HAS AN OVERALL MOLECULAR DIPOLE
MOMENTS
Step 4
Draw an arrow showing the direction of the over all dipole moment.
Step 3
Determine whether or not all bond dipole moments cancel.
FOR WATER BOTH DIPOLES
ARE POINTING TOWARDS O
WITH NO OTHER DIPOLES
TO OFFSET
POLAR MOLECULE
δ−
δ+δ+
ALL BOND DIPOLES ARE
POINTING AWAY FROM C TOWARDS F.
THESE DIPOLES CANCEL OUT.
NON POLAR MOLECULE
δ+
δ−
δ−
δ−
δ−
WAYS TO DESCRIBE THE CANCELLATION OF BOND DIPOLES TO YIELD A NON POLAR
MOLECULE
CF4 has a tetrahedral geometry and is
symmetrical
All polar bonds point away from the central
atom.
All of the bond dipoles have the same
magnitude, all are C-F bonds. Therefore CF4 is a
non polar molecule
CCl4 vs CHCl3
Which molecule is polar? You must look at the geometry to decide.
NH3 vs NF3
These types of molecules, where C = central atom and
T = , are never polar.terminal atoms of the same type
SUMMARY
Molecules with bond dipole moments may or may not
have an over all dipole moment.
If the bond dipole moment do not cancel, the
molecule will be polar.
Polar molecules will generally be asymmetric.
Some molecules with bond dipoles do not have an
overall dipole moment.
If the bond dipole moment cancel out, the molecule
will be non polar.
Non polar molecules containing polar bonds are often
symmetrical
TRY THIS!
IDENTIFY WHETHER THE FOLLOWING HAS A DIPOLE MOMENT.
HYBRIDIZATION OF ATOMIC ORBITALS
VSEPR Theory - electron pair repulsions influence
molecular shape
Valence Bond Theory - atoms form bonds by
overlapping atomic and/or hybrid orbitals
HYBRIDIZATION
* Combination of ATOMIC Orbitals to form hybrid orbitals
sp3,sp2 and sp orbital
Recall s and p orbitals
HYBRIDIZATION OF ATOMIC ORBITALS
Quick way to tell HYBRIDIZATION of atomic orbitals
GROUPS HYBRIDIZATION
1 s
2 sp
3 sp2
4 sp3
5 sp3d1
6 sp3d2
1. Hybrid orbitals get 1 electron for a σ-bond,
2 electrons for a lone pair.
2. Remaining electrons go into unhybridized
orbitals = π bonds
Thank You
for your
attention !

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CHEMICAL BONDING II: Molecular geometry and Hybridization of Atomic orbitals

  • 1. CHARILYN D. DELA CRUZ MAED – SCIENCE / RAMON MAGSAYSAY TECHNOLOGICAL UNIVERSITY
  • 2. MOLECULAR GEOMETRY Also known as molecular structure, is a three dimensional arrangement of atoms in a molecule. Several analytical methods can be used to image molecules and learn about their vibrational and rotational absorbance. Examples include x-ray crystallography, neutron diffraction, infrared (IR) spectroscopy, Raman spectroscopy, electron diffraction, and microwave spectroscopy. The best determination of a structure is made at low temperature because increasing the temperature gives the molecules more energy, which can lead to conformation changes. The molecular geometry of a substance may be different depending on whether the sample is a solid, liquid, gas, or part of a solution.
  • 3. LEWIS ELECTRON DOT STRUCTURE LEDS play a crucial role in determining the geometry of molecules because it helps us identify the valence electrons. LEDS helps us to identify the bond pairs and the lone pairs. Then, with the Lewis Structure we apply the Valence – shell electron pair repulsion (VSEPR) theory EXERCISE 1 Draw the LEWIS ELECTRON DOT STRUCTURE of the following molecules. 1. BeCl2 2. BF3 3. SO2 4. CH4 5. NH3 6. H2O 7. CO2
  • 4. VALENCE SHELL ELECTRON PAIR REPULSION THEORY (VSEPR) The VSPER Theory states that electron pairs repel each other whether or not they are in bond pairs or in lone pairs. Thus, electron pairs will spread themselves as far from each other as possible to minimize repulsion VSPER focuses not only on electron pairs, but it also focus on electron groups as a whole. An electron group can be an electron pair, a lone pair, a single unpaired electron, a double bond, or a triple bond on the central atom
  • 5. The shape of a molecule is determined by the location of the nuclei and its electrons. The molecule’s shape reflects it equilibrium state in which it has the lowest possible energy in the system. Although VSPER theory predicts the distribution of electrons, we have to take in consideration of the actual determinant of the molecular shape.
  • 6. TWO CATEGORIES: ELECTRON GROUP GEOMETRY and MOLECULAR GEOMETRY ELECTRON GROUP GEOMETRY is determined by the number of electron groups Number of ELECTRON GROUP Name of electron group geometry 2 Linear 3 Trigonal planar 4 Tetrahedral 5 Trigonal – bipyramidal 6 octahedral
  • 7. Molecular Geometry depends on not only on the number of electron groups, but also on the number of lone pairs When the electron groups are all bond pairs, they are named exactly like the electron group geometry.
  • 8. BOND ANGLES Bond angles also contribute to the shape of a molecule. Bond angles are the angles between adjacent lines representing bonds. The bond angle can help differentiate between linear, trigonal planar, tetrahedral, trigonal bipyramidal and octahedral Bond angles are the angles that demonstrate the maximum angle where it would minimize repulsion thus verifying the VSEPR Theory.
  • 9.
  • 10. VSEPR NOTATION The VSEPR notation for these molecules are AXn. “A” represents the central atom and n represents the number of bonds with the central atom. When lone pairs are present, the letter Nx is added. The “x” represents the number of lone pairs present in the molecule. Example: A molecule of two bond pairs and two lone pairs have the notation of AX2N2
  • 11.
  • 12. Let’s Try this On the next slide identify the shape of following molecular geometry and electron pair geometry.
  • 13. ELECTRON PAIR GEOMETRY MOLECULAR GEOMETRY Linear (AX2)
  • 15. ELECTRON PAIR GEOMETRY MOLECULAR GEOMETRY Tetrahedral (AX4) Trigonal Pyramidal (AX3N) Bent (AX2N2) Tetrahedral
  • 18. lone-pair vs. bonding pair repulsion bonding-pair vs. bonding pair repulsion lone-pair vs. lone pair repulsion Lone Pairs Distort Bond Angles
  • 19. Multiple Bonds and Molecular Geometry Multiple bonds count as one – e.g. 4 bonding pairs around C, but trigonal planar instead of tetrahedral.
  • 20. 1. Determine the Lewis structure 2. Determine the number of electron pairs (or clouds) around the CENTRAL ATOM – multiple bonds count as ONE CLOUD 3. Find out the appropriate VSEPR geometry for the specified number of electron pairs, both bonding and lone pairs. 4. Use the positions of atoms to establish the resulting molecular geometry. APPLYING VSEPR THEORY
  • 21. EXERCISE 2 For each of the following molecules, draw the LEDS and tally up the electron pairs. Then, identify the correct molecular shape and bond angle. 1.Let’s try this a. PF3 b. CO2 molecule Lewis diagram e- tally shape Bond angle BeCl2 BF3 SO2 CH4 NH3
  • 22. cysteine Molecular Geometries of Molecules with more than 1 Central Atom
  • 23. DIPOLE MOMENTS and DETERMINING THE POLARITY OF MOLECULES Recall on CHEMICAL BONDING *Chemical bonding can be described as force that binds atoms together to form molecules or ionic compounds *Chemical bonds form because the overall energy of the bonded atoms is less than the atoms have separately. *Atoms form bonds to attain noble gas configuration. Two main types of bonds are formed IONIC and COVALENT BONDS Covalent bonds can be Polar or non –polar
  • 24. NON POLAR AND POLAR COVALENT BONDING Non polar covalent bonds form between atoms of relatively equal electronegativity. Electrons are shared equally between atoms involved in the bond. Electron density is basically very similar.
  • 25. NON POLAR AND POLAR COVALENT BONDING Polar covalent bonds form when one of the atoms has a higher electronegativity than the other. Electrons are shared unequally between the atoms involved in the bond. An unequal sharing of electrons exists in polar bonds so the electron cloud is distorted or polarized. example; Carbon Monoxide (CO)
  • 26. Dipole Moments and Polar Molecules electron poor region electron rich region δ+ δ− C O Electron density is polarized towards the more electronegative O atom
  • 27. NON POLAR AND POLAR COVALENT BONDING Asymmetrical charge distribution creates a dipole moment (µ). The direction and magnitude of a dipole moment is indicated with an arrow that points towards the excess negative charge.( or the more electronegative atom)
  • 28. POLAR MOLECULES Molecules with polar covalent bonds may have an over all molecular shape. In order to determine if a molecule has an overall dipole, it is necessary to graphically add the individual bond dipoles together. The geometry of the molecule must be taken to account.
  • 29. DO ALL MOLECULES WITH POLAR BONDS HAVE AN OVERALL MOLECULAR DIPOLE? Water (H2O) and CF4 both have a polar covalent bonds. However water is polar and CF4 is non-polar. Why?
  • 30. DETERMINING IF A MOLECULE HAS AN OVERALL MOLECULAR DIPOLE MOMENTS Step 1 Draw the molecular geometry according to VSEPR Step 2 Locate all significantly polar bonds in the molecule and draw dipole moment arrows
  • 31. DETERMINING IF A MOLECULE HAS AN OVERALL MOLECULAR DIPOLE MOMENTS Step 4 Draw an arrow showing the direction of the over all dipole moment. Step 3 Determine whether or not all bond dipole moments cancel.
  • 32. FOR WATER BOTH DIPOLES ARE POINTING TOWARDS O WITH NO OTHER DIPOLES TO OFFSET POLAR MOLECULE δ− δ+δ+
  • 33. ALL BOND DIPOLES ARE POINTING AWAY FROM C TOWARDS F. THESE DIPOLES CANCEL OUT. NON POLAR MOLECULE δ+ δ− δ− δ− δ−
  • 34. WAYS TO DESCRIBE THE CANCELLATION OF BOND DIPOLES TO YIELD A NON POLAR MOLECULE CF4 has a tetrahedral geometry and is symmetrical All polar bonds point away from the central atom. All of the bond dipoles have the same magnitude, all are C-F bonds. Therefore CF4 is a non polar molecule
  • 35. CCl4 vs CHCl3 Which molecule is polar? You must look at the geometry to decide.
  • 36.
  • 38. These types of molecules, where C = central atom and T = , are never polar.terminal atoms of the same type
  • 39. SUMMARY Molecules with bond dipole moments may or may not have an over all dipole moment. If the bond dipole moment do not cancel, the molecule will be polar. Polar molecules will generally be asymmetric. Some molecules with bond dipoles do not have an overall dipole moment. If the bond dipole moment cancel out, the molecule will be non polar. Non polar molecules containing polar bonds are often symmetrical
  • 40. TRY THIS! IDENTIFY WHETHER THE FOLLOWING HAS A DIPOLE MOMENT.
  • 41. HYBRIDIZATION OF ATOMIC ORBITALS VSEPR Theory - electron pair repulsions influence molecular shape Valence Bond Theory - atoms form bonds by overlapping atomic and/or hybrid orbitals
  • 42.
  • 43. HYBRIDIZATION * Combination of ATOMIC Orbitals to form hybrid orbitals sp3,sp2 and sp orbital Recall s and p orbitals
  • 44. HYBRIDIZATION OF ATOMIC ORBITALS Quick way to tell HYBRIDIZATION of atomic orbitals GROUPS HYBRIDIZATION 1 s 2 sp 3 sp2 4 sp3 5 sp3d1 6 sp3d2
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  • 55. 1. Hybrid orbitals get 1 electron for a σ-bond, 2 electrons for a lone pair. 2. Remaining electrons go into unhybridized orbitals = π bonds
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Editor's Notes

  1. To determine the shapes of a molecule, we must become acquinted with the lewis electron dot structure. Although Lewis Theory does not determine the shape of the molecule it is the first step in predicting the shape of the molecules.
  2. VSEPR MODEL combines the original ideas of Sidwick and Powell and further develop by Nyholm and Gillespie
  3. Essentially bond angles is telling us that electrons don’t like each other. Electrons are negative. Two negatives don’t attract. Let’s create an analogy, generally a negative person is seen as bad or mean and you don’t want to talk to that person. One negative person is bad enough, but if you have two put together that’s horrible. The two negative person will be mean towards ech other. So they will be far away from each other way.
  4. Molecular geometry and electron group geometry are the same when there are no lone pairs. EXAMPLE WATER
  5. Two things around central atom
  6. Three things around central atom
  7. 4 things around central atom
  8. 5 things around central atom
  9. NH3,CH2O,H20
  10. Single, double and triple are the same in steric value
  11. Phosphuros triflouride
  12. And so that the driving force in forming chemical bonds.
  13. In determining the polarity of a molecule it is very important to determine which atom is more electronegative? In the cross base arrow the arrow represents the
  14. There are steps or procedure in determining if a molecule has an overall molecular dipole moment.
  15. Which has more dipole moment? Just looking at NH3 and NF3, you might assume that NF3 will have high dipole moment than NH3 as 'F' is more electronegative. But, NH3 has more dipole moment than NF3. Let's see why that is so.. In NH3, N is more electronegative than H. So, N pulls the electrons from H towards itself and so, the direction of moment due to the N-H bonds is in the same direction as that of the lone pair of electrons on Nitrogen.
  16. According to VSEPR Theory, electron pair repulsions influence molecular shape.
  17. In order to grasp a full understanding of hybridization you have to know s and p orbitals already
  18. Groups refers to the steric number which can be a single bond, double bond,triple bond and lone pairs which can be equal to 1 point.