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

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

中国物理B ›› 2011, Vol. 20 ›› Issue (4): 43301-043301.doi: 10.1088/1674-1056/20/4/043301

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

孙立风¹, 房超²

(1)Department of Physics, Tsinghua University, Beijing 100084, China; (2)Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China

收稿日期:2010-10-11 修回日期:2011-01-04 出版日期:2011-04-15 发布日期:2011-04-15
基金资助:
Project supported by the National Science and Technology Major Project (Grant No. ZX06901).

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

Fang Chao(房超)^a)^† and Sun Li-Feng(孙立风)^b)

^a Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China; ^b Department of Physics, Tsinghua University, Beijing 100084, China

Received:2010-10-11 Revised:2011-01-04 Online:2011-04-15 Published:2011-04-15
Supported by:
Project supported by the National Science and Technology Major Project (Grant No. ZX06901).

摘要/Abstract

摘要： 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.

关键词: Raman intensity, electronic relaxation, bond polarizability, virtual state, thiourea

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.

Key words: Raman intensity, electronic relaxation, bond polarizability, virtual state, thiourea

中图分类号: (Infrared spectra)

33.20.Ea

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

房超, 孙立风. The evaluation of temporal electronic structures of nonresonant Raman excited virtual state of thiourea[J]. 中国物理B, 2011, 20(4): 43301-043301.

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[J]. Chin. Phys. B, 2011, 20(4): 43301-043301.

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

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

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