Raman optical activity of chiral trans-2, 3-epoxybutane molecule

Zhao Yan-Mu; Wang Pei-Jie; Fang Yan; Wu Guo-Zhen

doi:10.7498/aps.61.240201

Abstract

In this article, Raman bond polarizability of trans-2,3-epoxybutane is derived from its Raman intensity, and the charge distribution of its Raman excited virtual state is obtained. The differential bond polarizability is also obtained from its Raman optical activity (ROA) intensity. The Raman chirality is explained via the coupling between the dipole moment induced by the C-H bond around the chiral center and the magnetic dipole moment which is caused by the electronic current generated in the Raman process. Further analysis shows that the differential bond polarizabilities on the two opposite sides of the C-H bond around the chiral center are of opposite sign. This demonstrates the local asymmetry of this chiral molecule. The symmetric and antisymmetric coordinates are also analyzed, and their results are explained via the irreducible representations of C2 group.

Keywords:

Authors and contacts

1.
Department of Physics, Beijing Key Lab for Nano-Photonics and Nano-Structure, Capital Normal University, Beijing 100048, China;
2.
State Key Laboratory of Low-Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084, China
Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 21153001, 21073124).

References

[1]	Barron L D, Buckingham A D 1971 Mol. Phys. 10 1111
[2]	Barren L D, Bogaard M P, Buckingham A D 1973 J. Am. Chem. Soc. 95 603
[3]	Polavarapu P L, Hecht L, Barron L D 1993 J. Phys. Chem. 97 1793
[4]	Polavarapu P L 1997 Mol. Phys. 91 3551
[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]	Fang Y, Wu G Z, Wang P 2012 Chemical Physics 393 140
[7]	Fang Y, Wu G Z, Wang P 2012 Spectrochimica Acta Part A 88 216
[8]	Thomas M Black, Pranati K B 1990 J. Am. Chem. Soc. 112 1479
[9]	Fang C, Wu G Z 2009 J. Raman Spectrosc. 40 308
[10]	Fang C, Liu Z J, Wu G Z 2008 J. Mol. Struct. 885 168
[11]	Fang C, Wu G Z 2007 J. Raman Spectrosc. 38 1416
[12]	Shen H, Wu G Z, Wang P J, Chin. Phys. B (已接受)

Cited By

[1]	Barron L D, Buckingham A D 1971 Mol. Phys. 10 1111
[2]	Barren L D, Bogaard M P, Buckingham A D 1973 J. Am. Chem. Soc. 95 603
[3]	Polavarapu P L, Hecht L, Barron L D 1993 J. Phys. Chem. 97 1793
[4]	Polavarapu P L 1997 Mol. Phys. 91 3551
[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]	Fang Y, Wu G Z, Wang P 2012 Chemical Physics 393 140
[7]	Fang Y, Wu G Z, Wang P 2012 Spectrochimica Acta Part A 88 216
[8]	Thomas M Black, Pranati K B 1990 J. Am. Chem. Soc. 112 1479
[9]	Fang C, Wu G Z 2009 J. Raman Spectrosc. 40 308
[10]	Fang C, Liu Z J, Wu G Z 2008 J. Mol. Struct. 885 168
[11]	Fang C, Wu G Z 2007 J. Raman Spectrosc. 38 1416
[12]	Shen H, Wu G Z, Wang P J, Chin. Phys. B (已接受)

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