Anharmonicity and Fermi resonance in the vibrational spectra of a CO2 molecule and CO2 molecular crystal: Similarity and distinctions

被引：11

作者：

Nosenko, Valentyna V. ^{[1
]}

Rudko, Galyna Yu. ^{[1
]}

Yaremko, Anatoliy M. ^{[1
]}

Yukhymchuk, Volodymyr O. ^{[1
]}

Hreshchuk, Olexandr M. ^{[1
]}

机构：

[1] NAS Ukraine, V Lashkaryov Inst Semicond Phys, Nauky Prospect 45, UA-03028 Kiev, Ukraine

来源：

JOURNAL OF RAMAN SPECTROSCOPY | 2018年 / 49卷 / 03期

关键词：

anharmonism; CO2; molecule; Fermi resonance; molecular crystal; vibrational spectra; CARBON-DIOXIDE; INTENSITY MEASUREMENTS; INFRARED-SPECTRA; RAMAN-SPECTRUM; SPECTROSCOPY; LATTICE; SOLIDS; WATER;

D O I：

10.1002/jrs.5297

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The vibrational spectra of a molecule and related molecular crystal are systematically analyzed theoretically with the account of the influence of anharmonic interactions between the vibrations. The specific anharmonism-induced features in the spectra of a molecule and crystal are revealed, and spectral lineshapes at varied strength of anharmonic interaction are simulated. The proposed general theoretical approach is used for fitting the experimental vibrational spectra of CO2 substance in gas and molecular crystal phases. Pretty good coincidence of experimental data with theoretical results is demonstrated, and the constants of anharmonic interaction are obtained. The proposed theoretical approach can be used to interpret the bands in the Raman and infrared absorption spectra of various complex molecules and crystals.

引用

页码：559 / 568

页数：10

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