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Topic: Molecular Orbital Theory Problem  (Read 4085 times)

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Offline Dolphinsiu

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Molecular Orbital Theory Problem
« on: December 14, 2006, 01:28:12 AM »
CO and CN-, which is the best pi-acceptor? I choose CN-

Using Molecular Orbital Theory to explain your choice?

                    ___
C             ____   ____                         
               ??   ??          O
                     ??

                    ___
C-           ____   ____                        
                    ??                   N
               ??   ??

I only know the energy level of pi electrons in 2py and 2pz in CN- is lower than that in CO.
But how can I explain CN- is a better pi-acceptor? Please *delete me*

Offline FeLiXe

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Re: Molecular Orbital Theory Problem
« Reply #1 on: December 14, 2006, 08:26:30 AM »
I would say CO

the idea is that the atomic levels of O are much lower than the levels of C. therefore bonding orbitals will be localised at the O and antibonding orbitals at the C. since the antibonding orbital is located at the C, it can easily accept electron density in an M-CO complex.

the difference between the levels in cyanide is not as big. therefore the antibonding orbital is nott as good an acceptor
Math and alcohol don't mix, so... please, don't drink and derive!

Offline Dolphinsiu

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Re: Molecular Orbital Theory Problem
« Reply #2 on: December 14, 2006, 09:46:09 AM »
Thanks a lot!Thank you very much for your sharing!

Offline FeLiXe

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Re: Molecular Orbital Theory Problem
« Reply #3 on: December 14, 2006, 09:54:44 AM »
you're welcome

I was worried that it wouldn't be understandable
Math and alcohol don't mix, so... please, don't drink and derive!

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