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【学术讲座预告】Rotational Spectroscopy Combined with Theoretical Calculations: Possibilities and Challenges
作者:       发布时间:2021-05-25        来源:校新闻中心

 

讲座题目:Rotational Spectroscopy Combined with Theoretical Calculations: Possibilities and Challenges

主 讲 人: 勾茜重庆大学教授

间:2021年5月28日(周五) 9:00

大学城校区材料科学与工程学院213会议室

内容简介

Rotational spectroscopy is arguably the most accurate high-resolution molecular spectroscopic technique due to its high sensitivity to mass distributions of molecules and molecular complexes. The inherent spectral feature with molecular fingerprint stems from the fact that even subtle differences in mass distribution (arising from isotopic substitution, isomerization, tautomerization or conformerization) can lead significant changes in the pattern of rotational transitions. Since the interaction sites and the relative arrangement of moieties can be determined without environmental bias, the method allows identifying the intermolecular forces at play. Rotational spectroscopic data are also benchmark for theoretical calculations, thanks to its intrinsic high resolution. However, the increasing size and complexity of molecules has been challenging the full interpretation of their rotational spectra. In this talk, with the recent results we have obtained, the possibilities and challenges in studies of isolated molecules and molecular complexes, via rotational spectroscopy combined with theoretical calculations, will be discussed.

专家简介

勾茜,教授,重庆大学“百人计划”研究员,博士生导师。2014年于意大利博洛尼亚大学获得化学博士学位(G. Spada奖),德国汉诺威大学及法国滨海大学访问学者。主持国家自然科学基金3项,省部级项目3项,中央高校项目2项,入选重庆英才·青年拔尖人才。主要研究方向为:通过研制开发高分辨、高灵敏度的分子光谱仪,结合高精度量子理论计算及数学模型,从分子结构及成键规律的角度,揭示关乎大气化学、天体化学及生物识别等的关键过程,阐释其微观机理。累计在Angew. Chem. Int. Ed.、J. Phys. Chem. Lett.等SCI期刊发表相关学术论文90余篇。




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