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On the red shift of OH stretching region vibrations in ice and water
Author(s) -
Kryachko Eugene S.
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560300405
Subject(s) - dipole , polarizability , nonlinear system , chemistry , vibration , force field (fiction) , molecule , frequency shift , classical mechanics , blueshift , field (mathematics) , molecular physics , physics , atomic physics , computational chemistry , quantum mechanics , optics , mathematics , pure mathematics , photoluminescence
The nature of the red shift of frequencies of the fundamental modes, v 1 and v 3 , 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.