Comparison of the Raman spectrum of trans-stilbene in the S1 state calculated by the CIS method and the spectra observed under resonant and off-resonant conditions

被引：9

作者：

Sakamoto, A. ^{[1
]}

Tanaka, F.

Tasumi, M.

Torii, H.

Kawato, K.

Furuya, K.

机构：

[1] Saitama Univ, Fac Sci, Dept Chem, Sakura Ku, Saitama 3388570, Japan

[2] Shizuoka Univ, Sch Educ, Dept Chem, Shizuoka 4228529, Japan

[3] Fuji Photo Film Co Ltd, Res & Dev Management Headquarters, Adv Core Technol Labs, Kanagawa 2500193, Japan

来源：

VIBRATIONAL SPECTROSCOPY | 2006年 / 42卷 / 01期

关键词：

quantum chemical calculations; trans-stilbene; CIS method; Raman intensities; lowest singlet excited state;

D O I：

10.1016/j.vibspec.2006.04.001

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The Raman intensities of trans-stilbene (tSB) in the lowest singlet excited (S-1) state is derived from quantum chemical calculations by the CIS method and compared with the transient Raman spectra observed under resonant and off-resonant conditions. The calculated Raman intensities of tSB in the S-1 state are useful to some extent for assigning the observed Raman bands. However, some discrepancies are found between the calculated and observed Raman intensities. The reason for such discrepancies is discussed. (C) 2006 Elsevier B.V. All rights reserved..

引用

页码：176 / 182

页数：7

共 14 条

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JOURNAL OF MOLECULAR STRUCTURE, 2006, 794 (1-3) : 320 - 327
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Department of Chemistry, School of Science, University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
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J. Raman Spectrosc., 10-11 (914-918):

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