Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

doi:10.1088/1674-1056/19/11/113201

中国物理B ›› 2010, Vol. 19 ›› Issue (11): 113201-113203.doi: 10.1088/1674-1056/19/11/113201

Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

吴国祯¹, 王培杰², 方炎²

(1)Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China; (2)The Beijing Key Laboratory for Nano-Photonics and Nano-Structure, Capital Normal University, Beijing 100048, China

收稿日期:2010-02-08 修回日期:2010-03-12 出版日期:2010-11-15 发布日期:2010-11-15
基金资助:
Project supported by the Natural Science Foundation of Beijing, China (Grant No. 2082006), the National Natural Science Foundation of China (Grant No. 20773073), the Key Grant Project of Chinese Ministry of Education (Grant No. 306020), and the Special Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20060003050).

Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

Wang Pei-Jie(王培杰)^a)†, Fang Yan(方炎)^a), and Wu Guo-Zhen(吴国祯)^b)

^a The Beijing Key Laboratory for Nano-Photonics and Nano-Structure, Capital Normal University, Beijing 100048, China; ^b Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China

Received:2010-02-08 Revised:2010-03-12 Online:2010-11-15 Published:2010-11-15
Supported by:
Project supported by the Natural Science Foundation of Beijing, China (Grant No. 2082006), the National Natural Science Foundation of China (Grant No. 20773073), the Key Grant Project of Chinese Ministry of Education (Grant No. 306020), and the Special Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20060003050).

摘要/Abstract

摘要： We have studied the temporal bond polarisabilities of para-nitroaniline from the Raman intensities by the algorithm proposed by Wu et al. in 1987 (Tian B, Wu G, Liu G 1987 J. Chem. Phys. 87 7300). The bond polarisabilities provide much information concerning the electronic structure of the non-resonant Raman excited virtual state. At the initial moment by the 514.5 nm excitation, the tendency of the excited electrons (mapped out by the bond polarisabilities) is to spread to the molecular periphery, and the electronic structure of the Raman virtual state is close to the pseudo-quinonoidic state. When the final stage of relaxation is approached, the bond polarisabilities of those peripheral bonds relax faster than those closer to the molecular core, the phenyl ring. The molecule is in the benzenoidic form as demonstrated by the bond polarisabilities after relaxation.

Abstract: We have studied the temporal bond polarisabilities of para-nitroaniline from the Raman intensities by the algorithm proposed by Wu et al. in 1987 (Tian B, Wu G, Liu G 1987 J. Chem. Phys. 87 7300). The bond polarisabilities provide much information concerning the electronic structure of the non-resonant Raman excited virtual state. At the initial moment by the 514.5 nm excitation, the tendency of the excited electrons (mapped out by the bond polarisabilities) is to spread to the molecular periphery, and the electronic structure of the Raman virtual state is close to the pseudo-quinonoidic state. When the final stage of relaxation is approached, the bond polarisabilities of those peripheral bonds relax faster than those closer to the molecular core, the phenyl ring. The molecule is in the benzenoidic form as demonstrated by the bond polarisabilities after relaxation.

Key words: Raman excited virtual state, bond polarisabilities, relaxation

中图分类号: (Polymers and organic compounds)

71.20.Rv

78.30.Jw (Organic compounds, polymers)

王培杰, 方炎, 吴国祯. Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities[J]. 中国物理B, 2010, 19(11): 113201-113203.

Wang Pei-Jie(王培杰), Fang Yan(方炎), and Wu Guo-Zhen(吴国祯). Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities[J]. Chin. Phys. B, 2010, 19(11): 113201-113203.

参考文献 18

[1]	Fang C and Wu G 2007 J. Raman Spectrosc. 38 1416
[2]	Harrand M 1975 J. Raman Spectrosc. 4 53
[3]	Epstein L M, Shubina E S, Ashkinadze L D and Kasitsyna L A 1982 Spectrochim. Acta Part A 38 317
[4]	Marlow F, Hill W, Caro J and Finger G 1993 J. Raman Spectrosc. 24 603
[5]	Maurizio M M 1997 J. Raman Spectrosc. 28 205
[6]	Kozich V, Werncke W, Dreyer J, Brzezinka K W, Rini M, Kummrow A and Elsaesser T J 2002 Chem. Phys. 117 719
[7]	Fraztdinov V M, Chanz R, Kovalenko S A and Ernsting N P 2000 J. Phys. Chem. A 104 11486
[8]	Kozich V, Werncke W and Dreyer J 2002 J. Chem. Phys. 17 719
[9]	Tian B, Wu G and Liu G 1987 J. Chem. Phys. 87 7300
[10]	Fang C, Liu Z and Wu G 2008 J. Mol. Struct. 885 168
[11]	Liu Z and Wu G 2005 Chem. Phys. 316 25
[12]	Wang H and Wu G 2006 Chem. Phys. Lett. 421 460
[13]	Liu Z J and Wu G Z 2006 Acta Phys. Sin. 55 6315 (in Chinese)
[14]	Fang C and Wu G 2009 Acta Phys. Sin. 58 2345 (in Chinese)
[15]	Chantry G W 1971 Polarisability Theory of the Raman Effect, in: Anderson A (Ed.) The Raman Effect, vo1. 1, (New York: Marcel Dekker Inc.) p1
[16]	Wilson Jr E B, Decius J C and Cross P C 1955 Molecular Vibrations (New York: McGraw-Hill) p11
[17]	Tanaka T, Nakajima A, Watanabe A, Ohno T and Ozaki Y 2003 J. Mol. Struct. 661 437
[18]	Yoshino T and Bernstein H J 1959 Spectrochim. Acta 14 127 endfootnotesize

Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

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