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Ji-Wen Jian, Hai-Bo Zhang, Cong-Qi Chen, Yanying Zhao and Xuming Zheng Resonance Raman spectroscopic and density functional theory investigation of the excited state structural dynamics of 2-mercapto-1-methylimidazole Journal of Raman Spectroscopy 44

Version of Record online: 28 DEC 2012 | DOI: 10.1002/jrs.4238

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The use resonance Raman spectroscopy enables us to reveal the differences in the dynamic structures of 2-mercapto-1-methylimidazole (MMI) and thiourea. Very strong π conjugation of the C=S group with the aromatic heterocyclic ring of MMI retards the pyramidalization of the carbon of the C=S group and favors the intra-molecular proton transfer reaction.

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