CCL: splitting of c6v geometry to lower symetry in JT distortions reg

 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.
 Regards
 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
 E-mail: bersuker\a/cm.utexas.edu
 http://www.cm.utexas.edu/isaac_bersuker
 ----- Original Message -----
 > From: "Rajagopala Reddy Seelam rajagopalaseelam..gmail.com"
 <owner-chemistry\a/ccl.net>
 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"
 [rajagopalaseelam(a)gmail.com]
 Dear all,
       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.
                                       Thank you,
                                                          S.Rajagopala Reddy
                                                          Prof.Mahapatra lab
                                                          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