CCL: splitting of c6v geometry to lower symetry in JT distortions reg
- From: Isaac B Bersuker <bersuker:_:cm.utexas.edu>
- Subject: CCL: splitting of c6v geometry to lower symetry in JT
- Date: Tue, 22 Sep 2009 18:37:35 +0000 (UTC)
Sent to CCL by: Isaac B Bersuker [bersuker_+_cm.utexas.edu]
Dear S.Rajagopala Reddy,
You have a simple (in the sense of traditional) two-mode JT problem; see any
recent book on the JTE and find out how to reduce the two-mode problem to the
ideal, one-mode one. There are a number of publications on this subject.
Dr. Isaac B. Bersuker
Institute for Theoretical Chemistry
The University of Texas at Austin
Chem & Biochem Department
1 University Station A5300
Austin, TX 78712-0165
Phone: (512) 471-4671; Fax: (512) 471-8696
----- Original Message -----
> From: "Rajagopala Reddy Seelam rajagopalaseelam..gmail.com"
To: "Isaac B. Bersuker" <bersuker\a/mail.cm.utexas.edu>
Sent: Tuesday, September 22, 2009 12:31:05 PM GMT -06:00 US/Canada Central
Subject: CCL: splitting of c6v geometry to lower symetry in JT distortions reg
Sent to CCL by: "Rajagopala Reddy Seelam"
We knew that the Jahn -Teller Theorem causes splitting of highly symmetric
open shell molecule to lower symmetry to attain stability.I have a molecule with
C6V geometry which is prone to JT effect.Now this has two modes (E1 and E2 )
which can split c6v to lower symmetry.Is there is a way to know which symmetry
does the distorted geometry belongs to.
School of Chemistry
University of Hyderabadhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt