A new interpretation of the OH-stretch spectrum of ice

被引:97
作者
Buch, V [1 ]
Devlin, JP
机构
[1] Hebrew Univ Jerusalem, Fritz Haber Res Ctr Mol Dynam, IL-91904 Jerusalem, Israel
[2] Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA
关键词
D O I
10.1063/1.478210
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new interpretation is presented of the vibrational band shapes of the proton disordered ice Ih and Ic in the OH and OD stretch region. The vibrationally excited states are shown to be related to those of a periodic system, whose unit cell is composed of four oscillating dipoles in a tetrahedral arrangement around an O-atom. Analysis of the excitations in this periodic system and of the perturbation induced by disorder is used to provide a detailed assignment of the band shapes of the measured spectra. (C) 1999 American Institute of Physics. [0021-9606(99)00707-2].
引用
收藏
页码:3437 / 3443
页数:7
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