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Nuclear spin conversion to probe the methyl rotation effect on hydrogen-bond and vibrational dynamics
Authors:Lozada-Garcia Rolando R  Ceponkus Justinas  Chevalier Michèle  Chin Wutharath  Mestdagh Jean-Michel  Crépin Claudine
Institution:Institut des Sciences Moléculaires d'Orsay, UMR, Université Paris-Sud, CNRS, Orsay, France.
Abstract:A noteworthy example of a molecule with coupled large-amplitude motions is provided by acetylacetone (methyl group torsions and intramolecular hydrogen bonds). The molecule was trapped in solid parahydrogen to investigate the complex proton tunneling processes. Nuclear spin conversion in methyl groups is observed and, combined with IR spectra, documents the coupling between high frequency modes and large amplitude motions.
Keywords:hydrogen bonds  IR spectroscopy  matrix isolation  molecular dynamics  proton tunneling
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