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Ming-Xia Liu, Bin-Bin Xie, Ming-Juan Li, Yan-Ying Zhao, Ke-Mei Pei, Hui-Gang Wang and Xuming Zheng A-band structural dynamics of thioanisole by resonance Raman spectroscopy Journal of Raman Spectroscopy 44

Article first published online: 6 DEC 2012 | DOI: 10.1002/jrs.4213

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The A-band structural dynamics of thioanisole was studied by using resonance Raman spectroscopy and density functional theory calculations. The C1S7C8 anti-symmetric stretch mode ν23 and the C1S7C8 symmetric stretch mode ν24 are two characteristic modes that mark the key S(ππ*)/S(πσ*) conical intersectional seam towards the S7–C8 bond dissociation reaction of thioanisole.

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