From owner-chemistry.,at,.ccl.net Wed Sep 6 11:11:00 2006 From: "Tom Sundius Tom.Sundius!^!helsinki.fi" To: CCL Subject: CCL: Fermi resonance & Vib spectroscopy Message-Id: <-32494-060906093944-20505-ViCaxYXM4LFX82dyMxm6RA~~server.ccl.net> X-Original-From: Tom Sundius Content-Type: MULTIPART/MIXED; BOUNDARY="1824380544-2092798488-1157547780=:238658" Date: Wed, 6 Sep 2006 16:03:00 +0300 (EEST) MIME-Version: 1.0 Sent to CCL by: Tom Sundius [Tom.Sundius,,helsinki.fi] This message is in MIME format. The first part should be readable text, while the remaining parts are likely unreadable without MIME-aware tools. --1824380544-2092798488-1157547780=:238658 Content-Type: TEXT/PLAIN; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: QUOTED-PRINTABLE Dear Aron, I would suggest to you to study some books on vibrational spectroscopy. A good introduction to start with would be Daniel C. Harris and Michael D. Bertolucci, "Symmetry and Spectroscopy", Dover Publ. 1989 (originally published by Oxford University Press 1978). A good theoretical textbook is S. Califano: "Vibrational States", J. Wiley & Sons, London (1976) These books should be available in good chemistry libraries. Best regards, Tom On Tue, 5 Sep 2006, Anil Aron anisamron . yahoo.com wrote: > Sent to CCL by: Anil Aron [anisamron|a|yahoo.com] > > --0-1943192406-1157406899=3D:47768 > Content-Type: text/plain; charset=3Diso-8859-1 > Content-Transfer-Encoding: 8bit > > Hello There, > I am basically from biology student and doing my Masters. I am not well = versed with spectroscopy & theory and in the process of learning. > > I am doing some vibrational calculations and I have couple of fundamenta= l doubts. > > 1) I would like to know how to assign the vibrations to the frequency fr= om theoretical data. I mean, how do I give the n1, n2, n3, =85. correspon= ding each frequency? (neu1, neu2, etc,) > > 2) About Fermi resonances. How do I select the bands/modes which form th= e Fermi resonance. > > Also could you any one of you suggest some online materials to read/ OR = > From where (books) to get some information related to these? I would really= appreciate any feedback from you. > > I guess some one in this list has asked questions similar to what I like= =2E > > > > Thanks, > Regards, > Aron Tom Sundius University of Helsinki, Dept of Physical Sciences phone +358-9-191 50672 P.O.Box 64, FIN-00014 Helsinki, Finland fax +358-9-191 50610 +++ for we know in part, and we prophesy in part +++ --1824380544-2092798488-1157547780=:238658--