Torsional vibrational spectra of histidine in THz range

Weining Wang; Weiwei Yue; Yuanbo Li; Haitao Yan

doi:10.1117/12.710684

27 October 2006 Torsional vibrational spectra of histidine in THz range

Weining Wang, Weiwei Yue, Yuanbo Li, Haitao Yan

Proceedings Volume 6047, Fourth International Conference on Photonics and Imaging in Biology and Medicine; 604730 (2006) https://doi.org/10.1117/12.710684
Event: Fourth International Conference on Photonics and Imaging in Biology and Medicine, 2005, Tianjin, China

Abstract

This paper reports the theoretical and experimental vibrational spectra of the histidine in the frequency range between 0~ 10.0 and 0.2~2.8 THz (FIR) respectively. Seven absorption peaks have been calculated out by using the semi-empirical theory and PM3 algorithm. The characteristic absorption peaks are attributed to torsional vibration modes of the molecule based on the semi-empirical theory. Three experimental peaks obtained from terahertz time-domain spectroscopy (THz-TDS) are comparable with the first three calculated peaks and these results mutually validated both approaches, although other four theoretical peaks between 2.8~10.0 THz remain to be tested in future.

Citation Download Citation

Weining Wang, Weiwei Yue, Yuanbo Li, and Haitao Yan "Torsional vibrational spectra of histidine in THz range", Proc. SPIE 6047, Fourth International Conference on Photonics and Imaging in Biology and Medicine, 604730 (27 October 2006); https://doi.org/10.1117/12.710684

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