Theory of the profiles of hydrogen stretching infrared bands of hydrogen-bonded solids - Fermi resonance effect and strong coupling between the high-frequency hydrogen stretching vibration and low-frequency phonons

被引:52
作者
Ratajczak, H
Yaremko, AM
机构
[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw, Poland
[2] Wroclaw B Beirut Univ, Fac Chem, Dept Theoret Chem & Chem Phys, PL-50383 Wroclaw, Poland
[3] Ukrainian Acad Sci, Inst Semicond Phys, UA-252028 Kiev, Ukraine
关键词
D O I
10.1016/S0009-2614(99)01107-0
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 the profiles of hydrogen stretching infrared bands of hydrogen-bonded solids taking into account the anharmonic coupling between the high-frequency stretching vibration, nu(XH), and low-frequency lattice phonons as well as a Fermi resonance between states involving the nu(XH) stretching and an overtone or combination of some internal modes. The theory was constructed in the framework of the extended molecular exciton Davydov approach. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:122 / 131
页数:10
相关论文
共 22 条
[1]   THE INFRA-RED SPECTRA OF SOME FERROELECTRIC COMPOUNDS WITH SHORT HYDROGEN BONDS [J].
BLINC, R ;
HADZI, D .
MOLECULAR PHYSICS, 1958, 1 (04) :391-405
[2]   PROFILES OF HYDROGEN STRETCHING IR BANDS OF MOLECULES WITH HYDROGEN-BONDS - A STOCHASTIC-THEORY .2. STRONG HYDROGEN-BONDS [J].
BRATOS, S ;
RATAJCZAK, H .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (01) :77-85
[3]   PROFILES OF HYDROGEN STRETCHING IR BANDS OF MOLECULES WITH HYDROGEN-BONDS - STOCHASTIC THEORY .1. WEAK AND MEDIUM STRENGTH HYDROGEN-BONDS [J].
BRATOS, S .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3499-3509
[4]  
BRATOS S, 1991, NATO ADV SCI I C-MAT, V329, P221
[5]  
Bratos S., 1980, MOL INTERACTIONS, V1, P301
[6]   ISOTOPE EFFECTS IN BONDS OF ALPHA-CROOH AND ALPHA-CROOD [J].
CHRISTENSEN, AN ;
HANSEN, P ;
LEHMANN, MS .
JOURNAL OF SOLID STATE CHEMISTRY, 1977, 21 (04) :325-329
[7]   ALTERNATIVE EXPLANATION FOR ANOMALOUS INFRARED-SPECTRA OF HCRO2 AND DCRO2 [J].
CLAYDON, MF ;
SHEPPARD, N ;
STACE, BC ;
UPFIELD, JA .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (01) :31-32
[8]  
DAVYDOV AS, 1968, THEORY MOL EXCITONS
[9]   THE CRYSTAL STRUCTURE OF HCRO2 [J].
DOUGLASS, RM .
ACTA CRYSTALLOGRAPHICA, 1957, 10 (06) :423-427
[10]  
HENRIROUSSEAU O, 1997, THEORETICAL TREATMEN, P166