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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