From owner-chemistry@ccl.net Tue Nov 25 07:23:01 2008 From: "zborowsk]*[chemia.uj.edu.pl" To: CCL Subject: CCL:G: Raman intensity Vs Static polarizability Message-Id: <-38173-081125055356-28603-djHQ9ISeOlAZ8QJvKJTNnQ~~server.ccl.net> X-Original-From: zborowsk++chemia.uj.edu.pl Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-2 Date: Tue, 25 Nov 2008 11:53:42 +0100 (CET) MIME-Version: 1.0 Sent to CCL by: zborowsk|,|chemia.uj.edu.pl Hi Dear Mi Yang I want to warn you if you are Gaussian user. Gaussian does not calculate Raman Intensities Sent to CCL by: favaro [laurent.favaro|*|u-psud.fr] Raman intensity is related to the square of the derivative of polarizability with respect to the normal coordinates of the vibrationnal mode. Best regards, Dr Favaro Mi Yang miyang3790_+_gmail.com a écrit : Sent to CCL by: "Mi Yang" [miyang3790*gmail.com] Dear CCL users, I need some comments or refs about my problem. I am studying the interaction of a metal with a boron cluster. I found the large increase of static polarizability and hyperpolarizability upon interaction of metal atom to that boron cluster. I also calculated the Raman spectrum which also showed high increase of intensity in metal boron cluster. I read some indirect relationship b/m these two properties but now in spite of my best efforts I could not find the direct relationship between Static polarizability and Raman intensity. Anybody who knows any ref or comments about this relationship (Static polarizability/hyperpolarizability and Raman intensity) would be highly appreciated.? Miyang P.R.China> -- Krzysztof Zborowski Faculty of Chemistry Jagiellonian University 3 Ingardena Street 30-060 Krakow Poland phone: +48(12)632-4888 ext. 2064 or 2067 fax: +48(12)634-05-15 email: zborowsk*chemia.uj.edu.pl gg 3817259 skype kzys70 www.chemia.uj.edu.pl/~zborowsk