THEORY OF PROFILES OF HYDROGEN STRETCHING INFRARED BANDS OF HYDROGEN-BONDED SOLIDS - MODEL OF STRONG-COUPLING BETWEEN THE HIGH-FREQUENCY HYDROGEN STRETCHING VIBRATION AND LOW-FREQUENCY PHONONS

被引:54
作者
RATAJCZAK, H
YAREMKO, AM
机构
[1] WROCLAW B BEIRUT UNIV, INST CHEM, DEPT THEORET CHEM & CHEM PHYS, PL-50383 WROCLAW, POLAND
[2] UKRAINIAN ACAD SCI, INST SEMICOND PHYS, KIEV 252028, UKRAINE
关键词
D O I
10.1016/0009-2614(95)00864-Z
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 theory is developed to describe a broad IR absorption which appears in the range of a high-frequency stretching vibration of the X-H group involved in the hydrogen bond in solids. The theory is based on the anharmonic coupling mechanism between the high-frequency hydrogen stretching vibration. nu(XH), and low-frequency lattice phonons. The theory was constructed in the framework of the molecular exciton Davydov approach. Model calculations show that the strong anharmonic couplings between the high-frequency nu(XH) and low lattice vibration frequencies generate the broadness of the nu(XH) band.
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页码:348 / 353
页数:6
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