Vibrational study of methylamine dimer and hydrated methylamine complexes in solid neon supported by ab initio calculations
作者： P. Soulard , B. Tremblay
DOI: 10.1016/J.MOLSTRUC.2021.130308
关键词: Methylamine 、 Physical chemistry 、 Infrared 、 Ab initio quantum chemistry methods 、 Molecule 、 Hydrogen bond 、 Neon 、 Dimer 、 Chemistry 、 Fourier transform infrared spectroscopy
摘要: Abstract For the first time investigation of water molecule complexed with methylamine (CH3NH2) in solid neon was performed from 80 to 6000 cm−1 using Fourier transform infrared spectroscopy. From concentration effects and help theoretical results we have identify several vibrational transitions for CH3NH2 dimer, CH3NH2-H2O, CH3NH2-(H2O)2 complexes. CH3NH2-H2O complex, where two submolecules interacting through hydrogen bonding, (IR) spectral changes (frequencies as well intensities) indicate that playing role proton donor, agreement previous works. Theoretical calculations at second-order Moller-Plesset level been obtain their equilibrium geometries spectra harmonic comparison experimental data allows us give structures observed
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