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- W2007370856 abstract "Infrared spectra of 1-hexanol in PCFE (=poly-(chlor-trifluorethylene)-oil) at high pressures are discussed. The absorption band assigned to the OH stretching vibration of the H-bonded OH group is split into two bands at high pressures. The splitting indicates an OH⋯OH⋯ chain structure. The correlation of the in-phase and out-of-phase OH stretching vibrations (v1, v2) with the different force constants results from the normal coordinate analysis of a linear chain. The higher frequency band must be assigned to the in-phase vibration v1. The decoupled OH vibration (vOH), the coupled and decoupled H-bond vibration (v5, v00) and all force constants are calculated from the observed frequencies v1 and v2. The force constants k1 and k2 relate to the OH and H⋯O bonds. respectively, and the interaction force constants k12 and k21 change characteristically with the pressure. The comparison of the fundamental with the overtone spectra allows calculation of the combination anharmonicity constant x12 which corresponds to the anharmonicity constant of the decoupled OH vibration xOH." @default.
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- W2007370856 date "1985-07-01" @default.
- W2007370856 modified "2023-10-18" @default.
- W2007370856 title "Infrared spectroscopic structure investigations of 1-hexanol: dependence on high pressure" @default.
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- W2007370856 doi "https://doi.org/10.1016/0022-2860(85)80167-8" @default.
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