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Mode assignments for THz vibrational spectra of molecular crystals

时间:2017年12月11日 15:32 发布人: 浏览次数:[]

[责任编辑]李敏妍 [信息提供]化工学院 

报告主题:Mode assignments for THz vibrational spectra of molecular crystals 

报告人:Dr. Feng Zhang, Kobe University, Japan 

报告时间:2017年12月22日14:00 

报告地点:化学A楼528演讲厅 

报告人:Prof. Dongping Zhong (仲冬平 教授) 

摘要:

Terahertz (THz) spectroscopic measurement of molecular crystals have become a routine practice in many laboratories, but the interpretation of the measured peaks is far from routine. We will introduce our progresses in the past decade in solving one of the basic problems—mode assignment—through the interplay of THz spectroscopy and solid-state ab initio theory. Quantitative agreements between experiment and theory have been achieved for a broad spectrum of prototypical molecular systems. A quantitative mode analysis method has been established for characterizing the origin of any THz mode of interest. On this basis, we will illustrate the power of THz spectroscopy in tackling some major problems of X-ray crystallography. Two examples will be specifically elucidated. One is the determination of the positions of hydrogen atoms in polymer crystals; the other is the deduction of the packing information in disordered molecular crystals. We will finally outlook the applications of THz spectroscopy to revealing the structure-encoded vibrations of proteins and to studying anharmonicity of molecular phonon modes. 

报告人简介:

Feng Zhang received a B. Eng. and M. Eng. from Nanjing Forestry University (2005) and Kunming University of Science and Technology (2008), China, respectively. He joined the Tominaga group in Kobe University, Japan in 2009, and earned a D. Sc. in 2013. He has since worked as a postdoctoral researcher in the Tominaga group. His research interest is exploring the low-frequency vibrations in molecular systems and quantifying their relations with many macroscopic properties of materials through the interplay of the experimental and theoretical approaches. 

 

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