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We studied the temporal bond polarizabilities of ethylene thiourea (ETU) from the Raman intensities by two different algorithms. One algorithm includes only the bond stretching modes and the other includes all bond modes. Our analysis shows that, the algorithm using bond stretching modes, in which only the part of Raman peaks whose vibrational modes have relatively larger proportion in the bond stretching are considered, may have larger errors in certain situations where the stretching and bending modes have significant coupling. Otherwise, this algorithm is just suitable, although it may lose certain physical information. The bond polarizabilities provide much information concerning the electronic distribution of nonresonant Raman excited virtual state. At the initial moment of the 514.5 nm excitation, the tendency of the excited electrons is to spread to the molecular periphery. Meanwhile, the relaxation process of the bond polarizability and the characteristic times for these two models are almost the same.
[1] Liu Z J 2006 Ph.D. Dissertation (Tsinghua University) (in Chinese)[刘照军 2006 博士学位论文 (清华大学)]
[2] Fang C, Liu Z J, Wu G Z 2008 J.Mol.Struct. 885 168
[3] Fang C, Wu G Z 2009 J. Raman Spectrosc. 40 308
[4] Fang C, Wu G Z 2007 J. Raman Spectrosc. 38 1416
[5] Wu G Z 2007 Raman Spectroscopy: A Intensity Approach (Beijing: Science Press) p70-84 (in Chinese)[吴国祯 2007 拉曼谱学-峰强中的信息.(北京:科学出版社)第70—84页]
[6] Zhong F P, Wu G Z 1993 J.Mol.Struct. 298 55
[7] Wang P J, Wu G Z 2004 Chem.Phys.Lett. 385 96
[8] Huang Y, Wu G Z 1990 Spectrochimica Acta A 46 377
[9] Liu Z J, Wu G Z 2004 Chem.Phys.Lett. 389 298
[10] Liu Z J, Wu G Z 2006 Acta.Phys.Sin. 55 6315(in Chinese)[刘照军、吴国祯 2006 55 6315]
[11] Fang C, Wu G Z 2009 Acta.Phys.Sin. 58 2345(in Chinese)[房 超、吴国祯 2009 58 2345]
[12] Wang H, Wu G Z 2006 Chem.Phys.Lett. 421 460
[13] Chantry G W 1971 Polarizability Theory for the Raman Effect (New York: Marcel Dekker)
[14] Yoshino T, Bernstein H J 1959 Spectrochim.Acta 14 127
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[1] Liu Z J 2006 Ph.D. Dissertation (Tsinghua University) (in Chinese)[刘照军 2006 博士学位论文 (清华大学)]
[2] Fang C, Liu Z J, Wu G Z 2008 J.Mol.Struct. 885 168
[3] Fang C, Wu G Z 2009 J. Raman Spectrosc. 40 308
[4] Fang C, Wu G Z 2007 J. Raman Spectrosc. 38 1416
[5] Wu G Z 2007 Raman Spectroscopy: A Intensity Approach (Beijing: Science Press) p70-84 (in Chinese)[吴国祯 2007 拉曼谱学-峰强中的信息.(北京:科学出版社)第70—84页]
[6] Zhong F P, Wu G Z 1993 J.Mol.Struct. 298 55
[7] Wang P J, Wu G Z 2004 Chem.Phys.Lett. 385 96
[8] Huang Y, Wu G Z 1990 Spectrochimica Acta A 46 377
[9] Liu Z J, Wu G Z 2004 Chem.Phys.Lett. 389 298
[10] Liu Z J, Wu G Z 2006 Acta.Phys.Sin. 55 6315(in Chinese)[刘照军、吴国祯 2006 55 6315]
[11] Fang C, Wu G Z 2009 Acta.Phys.Sin. 58 2345(in Chinese)[房 超、吴国祯 2009 58 2345]
[12] Wang H, Wu G Z 2006 Chem.Phys.Lett. 421 460
[13] Chantry G W 1971 Polarizability Theory for the Raman Effect (New York: Marcel Dekker)
[14] Yoshino T, Bernstein H J 1959 Spectrochim.Acta 14 127
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