CCL: covalency and ionicity

Sent to CCL by: Savita Pundlik [savita.pundlik|*|tcs.com]
Hello Abhishek,
 
I think population analysis (rather than energy decomposition) will give some idea about covalency against ionicity.
Desides this, the strength of covalent bond may also be judged by measuring density at the bond critical point.
 
Good luck,
 
Savita Pundlik
Tata Consultancy Services
Mailto: savita.pundlik^-^tcs.com
Website: http://www.tcs.com


-----owner-chemistry+savita.pundlik==tcs.com^-^ccl.net wrote: -----
To: "Pundlik, Savita Sunil " <savita.pundlik^-^tcs.com>
From: "ABHISHEK SHAHI shahi.abhishek1984/a\gmail.com"
Sent by: owner-chemistry+savita.pundlik==tcs.com^-^ccl.net
Date: 11/26/2012 10:46AM
Subject: CCL: covalency and ionicity

Dear All,

      Is there any computational method to calculate covalency of a particular bond ? In many article, It has been seen that this particular bond have some percentage of covalency and ionicity as well. Will energy decomposition method be helpful here ? What else a bond contains besides covalency and ionicity ? Please give your suggestion considering weak interaction along with covalent bond. Thanks a lot.

  Wish you a Merry Christmas and may this festival bring abundant joy and happiness in your life!

Regards :
 ABHISHEK SHAHI
Research Scholar
Inorganic and Physical Chemistry
Indian Institute Of Science
Bangalore-12



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