Knowing electronic transition
Raghavendra V
raghav... at gmail.com
Thu Apr 9 08:00:54 UTC 2015
How do we find the what kind of electronic transition it is for a molecule
computationally? How do we arrive at any of the following transition for
any UV-Vis spectroscopy of organic molecules.
σ <http://en.wikipedia.org/wiki/Sigma_bond> → σ
<http://en.wikipedia.org/wiki/Sigma_bond>*π
<http://en.wikipedia.org/wiki/Pi_bond> → π
<http://en.wikipedia.org/wiki/Pi_bond>*n
<http://en.wikipedia.org/wiki/Non-bonding_orbital> → σ
<http://en.wikipedia.org/wiki/Sigma_bond>*n
<http://en.wikipedia.org/wiki/Non-bonding_orbital> → π
<http://en.wikipedia.org/wiki/Pi_bond>*
Can someone please tell me how it is done.
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