CH STRETCHING ANHARMONICITY IN CH2=CF2 AND CH2=CCL2

被引：8

作者：

DUNCAN, JL ^{[1
]}

NIVELLINI, GD ^{[1
]}

TULLINI, F ^{[1
]}

FUSINA, L ^{[1
]}

机构：

[1] UNIV BOLOGNA,DIPARTIMENTO CHIM FIS & INORGAN,I-40136 BOLOGNA,ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 165卷 / 04期

关键词：

D O I：

10.1016/0009-2614(90)87203-4

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 CH stretching anharmonicity in CH2CF2 and CH2CCl2 has been investigated through application of the local mode model to vibration levels up to 14500 cm-1. Good reproduction of observed data is achieved in each case, but whereas a "normal" anharmonicity constant of ≈-58 cm-1 is obtained for CH2CCl2, an anomalous value of ≈-52 cm-1 is determined for CH2CF2. By comparison of the spectra, the cause of the problem is traced to two critical misassignments due to the effects of Fermi resonances at different levels of excitation in CH2CF2. A "normal" anharmonicity constant is then obtained. The Fermi resonances cannot be quantified satisfactorily, due to lack of sufficient observations and their complexity. The local mode parameters determined for each molecule are supported by available structural information. © 1990.

引用

页码：362 / 368

页数：7

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