Vibrational study of hydrated methyl formate complexes in solid neon: Observation for the first time of three isomers for methyl formate-water complex

نویسندگان

چکیده

Methyl formate (MF) is an important interstellar medium molecule and it has been the subject of several theoretical experimental studies in literature. The study complexation this with water never undertaken from a vibrational point view as well homodimer (MF)2. We highlight for first time presence three isomers (MF)2, MF-H2O MF-(H2O)2 complexes solid neon. For complex, we observe without ambiguity isomers: two where carbonyl oxygen served proton acceptor one alkoxy was acceptor. clearly especially by observation large frequency shifts MF modes. Theoretical calculations at second-order Møller-Plesset level have performed to obtain equilibrium geometries spectra harmonic comparison data allows us give structures observed complexes.

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ژورنال

عنوان ژورنال: Journal of Molecular Structure

سال: 2022

ISSN: ['0022-2860', '1872-8014']

DOI: https://doi.org/10.1016/j.molstruc.2022.132604