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Topic: Molecular Orbital Diagram Confusion...  (Read 10647 times)

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Offline Lencer

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Molecular Orbital Diagram Confusion...
« on: September 01, 2007, 11:23:40 AM »
Hey guys,

I am reading the sparknotes on MO diagrams, (http://www.sparknotes.com/chemistry/bonding/molecularorbital/section1.html), and I am a little confused. ??? For their example for B2 (diagram 1.5) and F2 (diagram 1.6), I was wondering why is B2's pi bonds are lower in energy than sigma bonds, while the F2's pi bonds are higher in energy?

Thank you,  ;D

Lencer

Offline enahs

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Re: Molecular Orbital Diagram Confusion...
« Reply #1 on: September 01, 2007, 11:26:41 PM »
Did you read the paragraph of text between the two diagrams?


Offline TheBigF

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Re: Molecular Orbital Diagram Confusion...
« Reply #2 on: October 09, 2007, 06:34:42 PM »
The text between these diagrams offers one possible, but not entirely accurate explanation (IMHO).

The swapping of energies for low Z numbers arises from a repulsion between sigma(1) and sigma(2) when the energy difference between the atomic s and p orbitals is small.

When the atomic number (Z) is low (or more importantly the nuclear charge is low) the energy gap between the s and p orbitals is small. As Z increases the s orbital energy falls more rapidly than the p orbital one. The net effect is that the s-p energy gap  increases as Z increases - this is shown on the diagrams. This reduces the repulsive interaction between sigma(1) and sigma(2) molecular orbitals, until at Z=7, and beyond, the expected "normal" ordering of molecular orbitals is observed.


Offline AWK

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Re: Molecular Orbital Diagram Confusion...
« Reply #3 on: October 10, 2007, 12:52:35 AM »
Hey guys,

I am reading the sparknotes on MO diagrams, (http://www.sparknotes.com/chemistry/bonding/molecularorbital/section1.html), and I am a little confused. ??? For their example for B2 (diagram 1.5) and F2 (diagram 1.6), I was wondering why is B2's pi bonds are lower in energy than sigma bonds, while the F2's pi bonds are higher in energy?

Thank you,  ;D

Lencer

These are real diagrams based on calculations. You can memmorize them, but not predict basing on your knowledge
AWK

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