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Covalent Bonding: Orbitals

The four bonds around C are of equal length and Energy

Can you explain this based on your knowledge of electron energy levels?

6C

1s2 2s2 2p2

Bonding from s is Different from bonding From p. In addition the Angles should be within 900!

How to generate four equal orbitals?

Hint: A key to wave mechanics is superposition Which is creating new waves from interference of old ones

Lets do some mixing

Copyright2000 by Houghton Mifflin Company. All rights

Copyright2000 by Houghton Mifflin Company. All rights

Cross section of 3 an sp orbital.

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An energy-level diagram showing 3 the formation of four sp orbitals.

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Hybridization
Ground state of C 1s2 2s2 sp2 s

px

py

pz

Promote electron at n=2

2s12p3
s px py pz

Hybridize at n=2

sp3 sp3 sp3 sp3 sp3 sp3 sp3 sp3

Four sp3 orbitals of equal length, energy and in tetrahedral shape


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Hybridization
The mixing of atomic orbitals to form special orbitals for bonding. The atoms are responding as needed to give the minimum energy for the molecule.

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Valence Bond Theory and NH3


N 1s22s22p3 3 H 1s1
2s 2px 2py 2pz

If use the three 2p orbitals predict 900

Actual H-N-H bond angle is 107.30

How do you explain this?


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Consider the n=2 for N Original


2s 2px 2py 2pz

Mix 1s and 3p And generate four

Equivalent sp
Hybridized orbitals

sp3 sp3 sp3

sp3

1 sp3 lone pair

3 bonding orbitals Which can accommodate The 1s1 electron from hydrogen
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The nitrogen atom in ammonia 3 is sp hybridized.

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An orbital energy-level diagram for sp hybridization. Note that one p orbital remains unchanged.

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When an s and two p orbitals are mixed to form a set of three sp2 orbitals, one p orbital remains unchanged and is perpendicular to the plane of the hybrid orbitals.

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a) The orbitals used to form the bonds in ethylene. (b) The Lewis structure for ethylene.

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Sigma bond (s) electron density between the 2 atoms

Pi bond (p) electron density above and below plane of nuclei of the bonding atoms

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The s bonds in ethylene. Note that for each bond the shared electron pair occupies the region directly between the atoms.

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A sigma (s) bond centers along the internuclear axis. A pi (p) bond occupies the space above and below the internuclear axis.

H H

H H
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C sC

(a)The orbitals used to form the bonds in ethylene.

(b) The Lewis structure for ethylene.


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The orbital energy-level diagram for the formation of sp hybrid orbitals on carbon.

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When one s orbital and one p orbital are hybridized, a set of two sp orbitals oriented at 180 degrees results.

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The orbitals of an sp hybridized carbon atom.

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The orbital arrangement for an sp hybridized oxygen atom to form CO2.


8O

1s22s22p4

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The hybrid orbitals in the CO2 molecule.

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(a) The orbitals used to form the bonds in carbon dioxide. Note that the carbonoxygen double bonds each consist of one s bond and one p bond. (b) The Lewis structure for carbon dioxide.

2sp orbitals from C to form two double bonds


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(a) An sp hybridized nitrogen atom. (b) The s bond in the N2 molecule. (c) The two p bonds in N2 are formed when electron pairs are shared between two sets of parallel p orbitals. (d) The total bonding picture for N2.

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Sigma (s) and Pi Bonds (p)


Single bond

1 sigma bond 1 sigma bond and 1 pi bond 1 sigma bond and 2 pi bonds

Double bond
Triple bond

How many s and p bonds are in the acetic acid (vinegar) molecule CH3COOH? H H O s bonds = 6 +1=7 C O H

C
H

p bonds = 1
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10.5

How to generate more than 4 bonds?


Remember the PCl5, SF6, etc The s and 3p can generate 4 orbitals Include d orbitals to generate more!
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Hybridize 1s and 3p and 1d

Result in 1 2

5 dsp
3

orbitals 4 5

dsp3 dsp3

dsp3

dsp3

dsp3
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A set of dsp3 hybrid orbitals on a phosphorus atom. Note that the set of five dsp3 orbitals has a trigonal bipyramidal arrangement. (Each dsp3 orbital also has a small lobe that is not shown in this diagram.)

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(a) The PCl5 molecule. (b) The orbitals used to form the bonds in PCl5. The phosphorus uses a set of five dsp3 orbitals to share electron pairs with sp3 orbitals on the five chlorine atoms. The other sp3 orbitals on each chlorine atom hold lone pairs.

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How to form 6 orbitals?

Hybridize 1s and 3p and 2d

Result in 2 3

6 d sp
2

orbitals 5

d2sp3

ds2p3

d2sp3

d2sp3 d2sp3

d2sp3
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The relationship of the number of effective pairs, their spatial arrangement, and the hybrid orbital set required.
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The Localized Electron Model


4 4 4 4 4

Draw the Lewis structure(s)


Determine the arrangement of electron pairs (VSEPR model). Specify the necessary hybrid orbital. All single bonds are hybridized and Sigma bond Double bond contains one Sigma and one Pi bonds while triple bond contains one sigma and two Pi bonds. Total number of electron pairs (bonded + unpaired electrons) decides the hybridization of the atom. Double and triple bonds are COUNTED as One Electron Pair. 2 electron pairs=SP, 3 electron pairs=SP2, 4 electron pairs=SP3,5 electron pairs=dSP3, 6 electron pairs=d2SP3
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