Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols

被引：27

作者：

Atamas, NA

Yaremko, AM

Bulavin, LA

Pogorelov, VE

Berski, S

Latajka, Z

Ratajczak, H

Abkowicz-Bienko, A

机构：

[1] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland

[2] Kiev Taras Shevchenkos Univ, Dept Phys, UA-252127 Kiev, Ukraine

[3] NAS Ukraine, Lab Semicond Phys, UA-252028 Kiev, Ukraine

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2002年 / 605卷 / 2-3期

关键词：

Raman scattering; alcohols; vibrations; anharmonic interactions; DFT calculations; Fermi resonance; anharmonicity;

D O I：

10.1016/S0022-2860(01)00762-1

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：

The vibrational Raman spectra of liquid alcohols (CH3(CH2)(n)OH, n = 0-3) were studied experimentally at room temperature in a wide spectral range (1000-4000cm(-1)). Special attention was paid to investigation of the high frequency region (greater than or equal to n3000cm(-1)) with the OH-vibration. In addition, DFT calculations of the vibrational spectra were performed. The features of the spectra in the region of similar to3000cm(-1) and the appearance of very broad bands were explained by Fermi resonance as well as very strong coupling between the low frequency vibrational modes and those related to hydrogen bond interactions. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：187 / 198

页数：12

共 9 条

[1] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].