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• W2067133036 startingPage "781" @default.
• W2067133036 abstract "We study the IR absorption of the νs (XH) mode of a hydrogen bonded species (XH---Y) in solution. Our theory assumes that the dephasing of the νs dipole transition is due to coupling to the low frequency stochastic νσ (XH---Y) stretching mode. Our approach is novel in that it uses Kubo’s stochastic Liouville equation to include both dynamics and Fermi resonance coupling of the νs levels with other intramolecular levels. Spectra assuming three bath models (Smoluchowski, Ornstein–Uhlenbeck, and Zwanzig) are compared and discussed. The theory gives good overall qualitative agreement with experiments involving moderate strength hydrogen bonds. It also demonstrates that the overall shape of the band can be analyzed in terms of parameters that affect primarily νs, and that dynamics should be included for a realistic description of these bands." @default.
• W2067133036 created "2016-06-24" @default.
• W2067133036 creator A5003532985 @default.
• W2067133036 creator A5077397785 @default.
• W2067133036 date "1987-07-15" @default.
• W2067133036 modified "2023-09-25" @default.
• W2067133036 title "The effect of dynamics on band shapes of hydrogen bonded complexes in solution" @default.
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• W2067133036 doi "https://doi.org/10.1063/1.453285" @default.
• W2067133036 hasPublicationYear "1987" @default.
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