Ultraviolet resonance Raman spectra and ab initio vibrational analyses of 1,4-benzoquinone: reassignments of the ν2 and ν3 bands

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成果类型：

期刊论文

作者：

Zhao, XJ;Imahori, H;Zhan, CG;Mizutani, Y;Sakata, Y;...

通讯作者：

Zhao, X.

作者机构：

OKAZAKI NATL RES INST,INST MOL SCI,OKAZAKI,AICHI 444,JAPAN.

OSAKA UNIV,INST SCI & IND RES,IBARAKI,OSAKA 567,JAPAN.

CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.

[Zhao, XJ; Kitagawa, T; Mizutani, Y] Institute for Molecular Science, Okazaki Natl. Research Institutes, Myodaiji, Okazaki 444, Japan

[Zhan, CG] Institute for Molecular Science, Okazaki Natl. Research Institutes, Myodaiji, Okazaki 444, Japan, Department of Chemistry, Central China Normal University, Wuhan 430070, China

通讯机构：

[Zhao, X.] I

Institute for Molecular Science, Okazaki Natl. Research Institutes, 8-1 Mihoga-oka, Japan

语种：

英文

期刊：

Chemical Physics Letters

ISSN：

0009-2614

年：

1996

卷：

262

期：

页码：

643-648

DOI：

10.1016/S0009-2614(96)01121-9

机构署名：

本校为其他机构

院系归属：

化学学院

摘要：

Ultraviolet resonance Raman (UVRR) spectra excited at 245 and 325 nm are reported for 1,4-benzoquinone and its 18O2 and d4 isotopomers. Depolarization ratios were determined for non-resonance Raman spectra excited at 647 and 441.6 nm and solvent effects were examined for the UVRR spectra. The UVRR bands at 1665 and 1639 cm-1, the latter of which exhibited a much larger 18O2 isotopic frequency shift than the former, are reassigned to ν2 (in-phase C=O/C=C stretches) and ν3 (out-of-phase C=O/C=C stretches), respectively, on the basis of the obse...

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Ultraviolet resonance Raman spectra and ab initio vibrational analyses of 1,4-benzoquinone: reassignments of the ν2 and ν3 bands

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