Infrared absorption spectra of gaseous CH2Cl2 in the regions of 120012000 cm1 were measured using a Bruker IFS 120HR Fourier transform spectrometer in conjunction with a multipass 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 i, 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 (k188 = 254.63 cm1) is stronger than that between CH stretching and bending vibrations (k122 = 54.87 cm1); and that Darling-Dennison resonances between CH stretching and bending vibrations (k1166 = 215.28 cm1) is also much stronger than that between CH bending and rocking vibrations (k2288 = 5.72 cm1).
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February 2006
Research Article|
February 01 2006
Coupling Among CH Stretching, Bending and Rocking Vibrational Modes in CH2Cl2
Qing-hua Liua;
Qing-hua Liua
1Department of Chemical Physics, University of Science and Technology of China, Hefei 230026,
China
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Xiao-ning Li;
Xiao-ning Li
1Department of Chemical Physics, University of Science and Technology of China, Hefei 230026,
China
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Lu-yuan Hao;
Lu-yuan Hao
1Department of Chemical Physics, University of Science and Technology of China, Hefei 230026,
China
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Chuang Tan;
Chuang Tan
1Department of Chemical Physics, University of Science and Technology of China, Hefei 230026,
China
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Yin-gui Zhou;
Yin-gui Zhou
2National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026,
China
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Ping Chen;
Ping Chen
1Department of Chemical Physics, University of Science and Technology of China, Hefei 230026,
China
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Huai Zhu
Huai Zhu
3Department of Basic Education for Information, Anhui College of Traditional Chinese Medicine, Hefei 230038,
China
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Chin. J. Chem. Phys. 19, 15–19 (2006)
Article history
Received:
January 11 2005
Accepted:
November 16 2005
Citation
Qing-hua Liua, Xiao-ning Li, Lu-yuan Hao, Chuang Tan, Yin-gui Zhou, Ping Chen, Huai Zhu; Coupling Among CH Stretching, Bending and Rocking Vibrational Modes in CH2Cl2. Chin. J. Chem. Phys. 1 February 2006; 19 (1): 15–19. https://doi.org/10.1360/cjcp2006.19(1).15.5
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