Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The nature of the red shift of frequencies of the fundamental modes, v1 and v3, in the OH stretching region of the vibrational spectrum of ice (and, possibly, in water) under H-bonding formation is explained in the framework of the continuum approach for the one-dimensional infinite chain of water molecules represented as dipolar and polarizable OH oscillators vibrating in the definite force field. The explicit expressions in the form of the generalized cnoidal nonlinear waves describing these fundamental modes and obtained as the solutions of the nonlinear Klein-Gordon equation of motion, and their red shifts that are consistent with experimental observations, are presented.
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