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山东大学步宇翔教授学术报告
发布时间: 2019-05-23 16:00:15   作者:本站编辑   来源: 本站原创   浏览次数:

报告题目:复杂弱束缚体系理论研究------弱束缚电子体系的结构、动力学及反应性

报告人:步宇翔

时间:2019525日上午9:30

地点:29103教室

Abstract:  In this series of works, we mainly investigate the structures and evolution dynamics behaviors of the loosely bound excess electrons in several representative biological aqueous media e.g. glucose aqueous solution and amide aqueous solutions with different bioactive ions (H+, Ca2+), and nucleobase aqueous solutions.  Our main conclusions include that i) in glucose aqueous solution an excess electron can formed solvated electron with a glucose molecule in the cavity, and different densities of glucose could noticeably affect the structures and localization dynamics of an excess electron; ii) the excess electron in amide aqueous solution could localize at the anion (COO) group and electron localization could also trigger the dissociation of amide acid molecule; iii) the acidity of solution can modulate the electron localization modes and thus the structures of solvated electrons (hydrated versus anion-centered) and the existing other bioactive ions (e.g. Ca2+) could also change the localization modes of excess electron through bifurcate mechanism; iv) excess electrons may localize towards nucleobases but with different localization mechanisms and rates.

报告人简介:

步宇翔,山东大学教授,博士生导师,国家政府特殊津贴获得者。中国化学会理论化学专业委员会委员,化学院学术委员会主任,校学部学术委员会委员,省化学化工学会理事。1983年曲师大毕业留校任教;1988年获吉林大学硕士学位;1998年获山东大学博士学位,师从邓从豪院士。曾在北京大学、大连化物所、美国Michigan State UniversityUniversity of North Texas等作访问教授。为教育部新世纪人才及教育部创新团队骨干和重点学科学科带头人。获中国化学会青年化学奖、省拔尖人才和优秀研究生导师等称号。长期从事电荷转移、材料分子设计及磁耦合等方面的理论、计算与模拟研究工作,探索有关的基本规律。特别是近期主要研究兴趣涉及复杂介质中溶剂化电子的相关动力学及自旋耦合作用等问题。主持国家自然科学基金重点项目、面上项目等10余项;在J. Am. Chem. Soc.Phys. Rev. Lett.J. Phys. Chem. LettersJ. Chem. Ttheory Comput.等发表核心论文200余篇;获省部级奖等多项;数十次邀请在国内外学术会议上及科研机构做分会主席、邀请报告。