Isotopic dependence of the hydrogen-transfer-triggered methyl-group rotation in deuterated 5-methyltropolone

Vadim V. Ilyushin, Alyssa M. Johnson,Jenna Hohl,Emily A. Cloessner,Frank J. Lovas, Richard J. Lavrich

Journal of Molecular Spectroscopy（2018）

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摘要

•The microwave spectrum of deuterated 5-methyltroplone was studied.•Dependence of the tunneling parameters of 5-MT upon deuteration was obtained.•Results support a hypothesis of cross-contamination of fitting parameters in tunneling formalism.

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关键词

Hydrogen transfer,Internal rotation,Large-amplitude motion,Microwave spectrum,Tunneling Hamiltonian,Tunneling splittings

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