Title: IR spectral density of weak H-bonds involving indirect damping. I. A new approach using non-Hermitean effective Hamiltonians
Abstract: A new approach of the combined effects of quantum direct and indirect dampings (within the adiabatic approximation) on the infrared lineshapes of the νX–H stretching mode of simple and single weak H-bonds is proposed. The approach is based on our precedent model dealing only with bare weak H-bonds [B. Boulil, O. Henri-Rousseau , P. Blaise Chem. Phys. 126 (1988) 263; B. Boulil, J.-L. Déjardin, N. El-Ghandour, O. Henri-Rousseau, J. Mol. Struct. (Theochem) 314 (1994) 83]. As in this initial model, the indirect relaxation of the H-bond bridge is described by the aid of the driven damped quantum harmonic oscillator model [W. Louisell, L. Walker, Phys. Rev. 137 (1965) 204]. It is shown that the Hamiltonian characterizing the driven damped quantum harmonic oscillator may be obtained in a non-Hermitean reduced form, allowing, contrarily to the initial approach, the possibility of generalizations to more complex situations than those of bare H-bonds.
Publication Year: 2003
Publication Date: 2003-08-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 17
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