The evaluation of temporal electronic structures of nonresonant Raman excited virtual state of thiourea

doi:10.1088/1674-1056/20/4/043301

Abstract An algorithm has been introduced to calculate molecular bond polarizabilities of thiourea, which supply essential electronic information about the nonresonant Raman excited virtual states. The main dynamical behaviour of the excited virtual states of thiourea is that the Raman excited electrons tend to flow to the N–H bonds and C–N bonds from the S–C bonds because of the electronic repulsion effect. The difference in Raman excited electron relaxation time of thiourea under 514.5-nm and 325-nm excitations has been observed, which quantitatively shows that the Raman scattering process is dependent on the wavelength of the pumping laser. Finally, the distribution of the electrons at the final stage of relaxation is given out through the comparison between the bond electronic densities of the ground states and the bond polarizabilities after deexcitation.

Keywords: Raman intensity electronic relaxation bond polarizability virtual state thiourea

Received: 11 October 2010
Revised: 04 January 2011
Accepted manuscript online:

PACS:	33.20.Ea	(Infrared spectra)
	36.20.Ng	(Vibrational and rotational structure, infrared and Raman spectra)
	78.30.-j	(Infrared and Raman spectra)

Fund: Project supported by the National Science and Technology Major Project (Grant No. ZX06901).

Cite this article:

Fang Chao(房超) and Sun Li-Feng(孙立风) The evaluation of temporal electronic structures of nonresonant Raman excited virtual state of thiourea 2011 Chin. Phys. B 20 043301

[1]	Raman C V 1928 Nature 121 619
[2]	Nie S and Emory S R 1997 Science 275 1102
[3]	Lee S Y and Heller E J 1979 J. Chem. Phys. 71 4777
[4]	Wu G Z 1990 J. Mol. Struct. 79 238
[5]	Zhong F P and Wu G Z 1994 J. Mol. Struct. 324 233
[6]	Liu Z J and Wu G Z 2004 Chem. Phys. Lett. 389 298
[7]	Fang C, Liu Z J and Wu G Z 2008 J. Mol. Struct. 885 168
[8]	Tian B G and Wu G Z 1987 J. Chem. Phys. 87 7300
[9]	Kiefer W 2008 J. Raman Spectrosc. 12 1710
[10]	Fang C and Wu G Z 2007 J. Raman Spectrosc. 38 1416
[11]	Fang C and Wu G Z 2008 Spectrochim. Acta A 71 1588
[12]	Fang C and Wu G Z 2009 J. Raman Spectrosc. 40 308
[13]	Yang Y, Liu Y L, Zhu K, Zhang L Y, Ma S Y, Liu J and Jiang Y J 2010 Chin. Phys. B 19 037802
[14]	Chantry G W 1971 Polarizability Theory for the Raman Effect (New York: Marcel Dekker)
[15]	Wilson E B, Decius J C and Cross P C 1955 Molecular Vibrations (New York: McGraw-Hill)
[16]	Otto A 1984 Surface-enhanced Raman Scattering: ``Classical'' and ``Chemical Origin'', in Light Scattering in Solid IV (New York, ed. Cardona M and Guntherodt G)

[1]	Charge disturbance/excitation in the Raman virtual state revealed by ROA signal: A case study of pinane Ziqi Zhu(祝子祺), Peijie Wang(王培杰), and Guozhen Wu(吴国祯). Chin. Phys. B, 2021, 30(6): 063101.
[2]	Chiral asymmetry of anti-symmetric coordinates studied by the Raman differential bond polarizability of S-phenylethylamine Shen Hong-Xia (沈红霞), Wu Guo-Zhen (吴国祯), Wang Pei-Jie (王培杰). Chin. Phys. B, 2012, 21(12): 123301.
[3]	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), Fang Yan(方炎), and Wu Guo-Zhen(吴国祯). Chin. Phys. B, 2010, 19(11): 113201.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Metrics
Related Articles

The evaluation of temporal electronic structures of nonresonant Raman excited virtual state of thiourea

Cite this article:

Online attention