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According to the relationship between Raman intensity and the bond polarizability, we investigate the temporal bond polarizabilities of carbazole molecule from the Raman intensities. We obtain the bond polarizability of the final state and compare it with the electronic density of the ground state by the density functional theory method, then we discuss and analyze the characteristics of carbazole temporal bond polarizabilities. The results show that at the initial stage of exitation, the excited electrons tend to flow toward the bond that we called connecting bond, which connects the two six-member ring, but not toward the molecular periphery. The bond electronic density of the molecule ground state can be mapped out by the temporal bond polarizabilities at the final stage of relaxation, therefore we conclude that the excited electrons flow back to the skeleton bond. Furthermore, we find the relaxation characteristic time of connecting the bonds is longer than that of connecting the other bonds, this further confirms our observations mentioned above. These conclusions will improve our understanding of Raman excited virtual states of the molecule with the bridge bonds.
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Keywords:
- Raman intensity /
- bond polarizability /
- Raman excited virtual state
[1] Wu G Z 2007 Raman Spectroscopy: A Intensity Approach (Beijing: Science Press)(in Chinese)[吴国祯 2007拉曼谱学峰强中的信息 (北京:科学出版社)]
[2] Chantry G W 1971 Polarizability Theory for the Raman Effect (New York: Marcel Dekker)
[3] [4] [5] Fang C, Wu G Z 2009 J. Raman Spectrosc. 40 308
[6] Fang C, Liu Z J, Wu G Z 2008 J. Mol. Struct. 885 168
[7] [8] Liu Z, Wu G Z 2004 Chem.Phys. Lett. 389 298
[9] [10] Liu Z J, Wu G Z 2006 Acta Phys. Sin. 55 6315 (in Chinese)[刘照君、吴国祯 2006 物理学报 55 6315]
[11] [12] Fang C, Wu G Z 2007 J. Light. Scatt. 19 296 (in Chinese) [房 超、吴国祯 2007 光散射学报 19 296]
[13] [14] [15] Fang C, Wu G Z 2009 Acta Phys. Sin. 58 2345 (in Chinese)[房 超、吴国祯 2009 物理学报 58 2345]
[16] [17] Wang P J, Fang Y, Wu G Z 2010 Chin. Phys. B 19 113201
[18] Qi K T, Yang C L, Li B, Zhang Y, Sheng Y 2009 Acta Phys. Sin. 58 6956 (in Chinese)[齐凯天、杨传路、李 兵、张 岩、盛 勇 2009 物理学报 58 6956]
[19] [20] Chen L, Xu C, Zhang X F 2009 Acta Phys. Sin. 58 1603 (in Chinese)[陈 亮、徐 灿、张小芳 2009 物理学报 58 1603]
[21] [22] [23] Bree A, Zwarzch R 1986 J. Chem. Phys. 49 8
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[1] Wu G Z 2007 Raman Spectroscopy: A Intensity Approach (Beijing: Science Press)(in Chinese)[吴国祯 2007拉曼谱学峰强中的信息 (北京:科学出版社)]
[2] Chantry G W 1971 Polarizability Theory for the Raman Effect (New York: Marcel Dekker)
[3] [4] [5] Fang C, Wu G Z 2009 J. Raman Spectrosc. 40 308
[6] Fang C, Liu Z J, Wu G Z 2008 J. Mol. Struct. 885 168
[7] [8] Liu Z, Wu G Z 2004 Chem.Phys. Lett. 389 298
[9] [10] Liu Z J, Wu G Z 2006 Acta Phys. Sin. 55 6315 (in Chinese)[刘照君、吴国祯 2006 物理学报 55 6315]
[11] [12] Fang C, Wu G Z 2007 J. Light. Scatt. 19 296 (in Chinese) [房 超、吴国祯 2007 光散射学报 19 296]
[13] [14] [15] Fang C, Wu G Z 2009 Acta Phys. Sin. 58 2345 (in Chinese)[房 超、吴国祯 2009 物理学报 58 2345]
[16] [17] Wang P J, Fang Y, Wu G Z 2010 Chin. Phys. B 19 113201
[18] Qi K T, Yang C L, Li B, Zhang Y, Sheng Y 2009 Acta Phys. Sin. 58 6956 (in Chinese)[齐凯天、杨传路、李 兵、张 岩、盛 勇 2009 物理学报 58 6956]
[19] [20] Chen L, Xu C, Zhang X F 2009 Acta Phys. Sin. 58 1603 (in Chinese)[陈 亮、徐 灿、张小芳 2009 物理学报 58 1603]
[21] [22] [23] Bree A, Zwarzch R 1986 J. Chem. Phys. 49 8
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