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Coupling Among CH Stretching, Bending and Rocking Vibrational Modes in CH2Cl2

Coupling Among CH Stretching, Bending and Rocking Vibrational Modes in CH2Cl2
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摘要 Infrared absorption spectra of gaseous CH2Cl2 in the regions of 1200-12000 cm^-1 were measured using a Bruker IFS 120HR Fourier transform spectrometer in conjunction with a nmltipass cell. 47 vibrational levels of overtone and combinational spectral lines of the CH stretching (v1, v6), bending (v2), and rocking (v8) modes were analyzed and assigned. Utilizing the normal mode model and considering the coupling among CH stretching, bending and rocking vibrations, values of the harmonic frequency wi, the anharmonic constant xij, and the coefficients of Fermi and the Darling-Dennison resonances of v1, v6, v2 and v8 modes were also determined from experimental spectral data with nonlinear least-square fitting. These spectral constants reproduced the experimental levels very well. These results showed that Fermi resonance between CH stretching and rocking vibrations (kiss=-254.63 cm^-1) is stronger than that between CH stretching and bending vibrations (k122 = 54.87 cm^-1 ); and that Darling-Dennison resonances between CH stretching and bending vibrations (k166=-215.28 cm^-1) is also much stronger than that between CH bending and rocking vibrations (k2288=5.72 cm^-1).
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第1期15-19,共5页 化学物理学报(英文)
基金 This work was supported by National Natural Science Foundation of China (Grant No. 10274077, 20103007 and 29703007). The authors would like to thank Wei Chu, Yong-qiang Xu and Guo-sheng Cheng for their kind help.
关键词 Normal model Darling-Dennison resonance Fermi resonance 二氯甲烷 标准模型 费尔米响应 CH2Cl2 红外吸收光谱 傅利叶转换光谱 化学分析
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