Low-frequency vibrational modes of glutamine

doi:10.1088/1674-1056/20/12/123301

中国物理B ›› 2011, Vol. 20 ›› Issue (12): 123301-123301.doi: 10.1088/1674-1056/20/12/123301

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Low-frequency vibrational modes of glutamine

王卫宁¹, 张岩¹, 王果²

(1)Beijing Key Laboratory for Terahertz Spectroscopy and Imaging, Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048, China; (2)Department of Chemistry, Capital Normal University, Beijing 100048, China

收稿日期:2011-05-09 修回日期:2011-06-21 出版日期:2011-12-15 发布日期:2011-12-15
基金资助:
Project supported by the National Basic Research Program of China (Grant No. 2007CB310408) and the Beijing Natural Science Foundation of China (Grant No. KZ201110028035).

Low-frequency vibrational modes of glutamine

Wang Wei-Ning(王卫宁)^a)†, Wang Guo(王果)^b)‡, and Zhang Yan(张岩)^a)

^a Beijing Key Laboratory for Terahertz Spectroscopy and Imaging, Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048, China; ^b Department of Chemistry, Capital Normal University, Beijing 100048, China

Received:2011-05-09 Revised:2011-06-21 Online:2011-12-15 Published:2011-12-15
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2007CB310408) and the Beijing Natural Science Foundation of China (Grant No. KZ201110028035).

摘要/Abstract

摘要： High-resolution terahertz absorption and Raman spectra of glutamine in the frequency region 0.2 THz-2.8 THz are obtained by using THz time domain spectroscopy and low-frequency Raman spectroscopy. Based on the experimental and the computational results, the vibration modes corresponding to the terahertz absorption and Raman scatting peaks are assigned and further verified by the theoretical calculations. Spectral investigation of the periodic structure of glutamine based on the sophisticated hybrid density functional B3LYP indicates that the vibrational modes come mainly from the inter-molecular hydrogen bond in this frequency region.

Abstract: High-resolution terahertz absorption and Raman spectra of glutamine in the frequency region 0.2 THz-2.8 THz are obtained by using THz time domain spectroscopy and low-frequency Raman spectroscopy. Based on the experimental and the computational results, the vibration modes corresponding to the terahertz absorption and Raman scatting peaks are assigned and further verified by the theoretical calculations. Spectral investigation of the periodic structure of glutamine based on the sophisticated hybrid density functional B3LYP indicates that the vibrational modes come mainly from the inter-molecular hydrogen bond in this frequency region.

Key words: vibrational modes, THz time-domain spectroscopy, Raman scattering, B3LYP, amino acid

中图分类号: (Molecular spectra)

33.20.-t

33.20.Vq (Vibration-rotation analysis) 78.30.-j (Infrared and Raman spectra)

王卫宁, 王果, 张岩. Low-frequency vibrational modes of glutamine[J]. 中国物理B, 2011, 20(12): 123301-123301.

Wang Wei-Ning(王卫宁), Wang Guo(王果), and Zhang Yan(张岩) . Low-frequency vibrational modes of glutamine[J]. Chin. Phys. B, 2011, 20(12): 123301-123301.

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Low-frequency vibrational modes of glutamine

Low-frequency vibrational modes of glutamine

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