High-pressure spectroscopic probe of hydrophobic hydration of the methyl groups in dimethyl sulfoxide
作者： Hai-Chou Chang , Jyh-Chiang Jiang , Chun-Min Feng , Yu-Chuan Yang , Chih-Chia Su
DOI: 10.1063/1.1532347
关键词: Infrared spectroscopy 、 Mole fraction 、 Photochemistry 、 Hydrogen bond 、 Kinetic isotope effect 、 Dimethyl sulfoxide 、 Ab initio quantum chemistry methods 、 Chemistry 、 Ab initio 、 Solvation
摘要: The hydrophobic hydration of dimethylsulfoxide (DMSO)/D2O was explored using a combination the high-pressure method and ab initio calculations. frequencies C–H stretching vibration DMSO increase as mole fraction D2O increases, while no appreciable changes in spectral shapes are observed upon dilution. Interestingly, infrared spectra DMSO/D2O under exhibits dramatic changes, new features locating at ∼2942 ∼3033 cm−1 appear. were attributed to combined effect C–H–O hydrogen bonding between oxygen atom D2O, phase change, pressure increase, etc. Ab calculation results, forecasting frequency shift is interacting via bonding, discussed. reorganization hydrogen-bond network or geometry may be responsible for elevated.
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