报告题目2：Multi-Scale Simulations on Mechanisms of Catalysis, Bio-Catalysis
           & Photo-“Catalysis”
报 告 人： 钟龙华 博士 (南方科技大学)
时    间： 6月2日（周二) 上午10:30

地    点： 卢嘉锡楼报告厅（202）   

    欢迎感兴趣的老师与学生参加。

以下是报告的摘要和报告人的简介部分：

Transition Metal Alkynyl Complexes and Rhodamine Derivatives as Luminescent Chemosensors and Materials
黄文忠 副教授 (南方科技大学)

报告摘要：

  The photochemistry and photophysics of transition metal complexes are extremely active areas of research because of the intrinsic interest of these complex systems and the potential inorganic excited states in solar energy conversion, biological probes, and sensors. Understanding of the spectroscopy and photochemistry of inorganic complexes as well as to the rational design of useful systems are very crucial. The introduction of heavy metal atoms into the alkynyl backbone in transition metal-containing oligo- and poly-ynes also provided a versatile method to improve the chances of producing triplet emitters, leading to long-lived phosphorescence, as a result of a larger spin-orbit coupling constant and an enhanced intersystem crossing efficiency. In this presentation, the classes of luminescent transition metal alkynyl complexes of platinum(II) and gold(III) will be discussed. Such kind of alkynyl metal complexes was found to exhibit interesting photophysical properties and possess potential applications in chemosensing and material point of view.

  On the other hand, Various rhodamine-based turn-on fluorescent probes for metal cations or oxidative species have been reported in the past few years. A bichromophoric sensory assemblie, from the combination of a rhodamine sensing derivative and luminescent cyclometalated iridium(III) complex will be reported. Energy transfer process from rhodamine 6G to the iridium(III) luminophore could be modulated by the ring-opening of the rhodamine 6G through the selective binding of Hg(II) ion. Another novel class of rhodamine derivatives, in which there are two spirolactam groups with five fused six-membered rings will also be discussed. Mercury(II) ion was found to selectively induce ring-opening of the spirolactam groups.

报告人简介：

黄文忠博士：(Dr. Keith Man-Chung Wong)

    南方科技大学化学系副教授；1995年获得香港大学理学士学位(一级荣誉)；1999年获得香港大学化学博士学位，师从任咏华院士；1999-2005年期间在任咏华院士研究组作为博士后及研究主任；2005-2012年在香港大学任研究助理教授；2012年9月至今在南方科技大学化学系副教授。

    研究方向：合成化学、无机化学、有机金属及配位化学、光化学及光物理、含金属材料及传感器。已在国际引用高影响SCI杂志上发表了共112篇研究文章，包括Acc. Chem. Res.、PNAS.、J. Am. Chem. Soc.、Angew. Chem. Int. Ed.、Adv. Mater.、Chem. Sci.、Coord. Chem. Rev.等在内的学术刊物，总共他引次数4600余次，H-因子44。2010年获得由亚洲及大洋洲光化学协会颁发的2009-2010年度青年科学家奖，以表扬他在“过渡金属炔配合物作为发光材料的分子设计和合成”的杰出贡献。

Multi-Scale Simulations on Mechanisms of Catalysis, Bio-Catalysis & Photo-“Catalysis”
钟龙华 博士 (南方科技大学)
 
报告摘要：

  Driven by development of computer hardware and computational chemistry methods, computational chemistry has played an important role in understanding reaction mechanisms and sometimes elucidating new reaction mechanisms. Particularly, multi-scale simulation becomes a popular and essential computational approach to study reaction mechanisms in complex systems (such as proteins and material). In this talk, a few successful examples of computational chemistry which emerged a new reaction mechanism for ruthenium-catalyzed hydrosilylation reaction, oxidative cleavage of tryptophan by a unique heme-containing dioxygenase as well as protein effects on photoisomerization in two photobiological systems will be discussed.

报告人简介：

钟龙华博士 Dr. (O6S4C4Ar) Lung Wa CHUNG; 副研究员/助理教授

    分别在2000、2003和2006年获得香港科技大学一级荣誉学士(學業成就獎)、硕士和博士学位，师从吴云东院士，研究金属催化有机反应机理。2006-2013年到京都大学福井謙一記念研究中心諸熊奎治(Keiji Morokuma)教授组，采用和发展多尺度模拟方法研究复杂生物体系。2013年10月起加入南方科技大学，任独立课题组组长，主要研究复杂生物催化反应，可持续化学，光化学与光生物，以及新模拟方法的发展与应用。在国外期刊上已发表了32篇SCI论文[包括1篇Chem. Rev.、12篇J. Am. Chem. Soc.、2篇Angew. Chem. Int. Ed.、1篇Wiley跨学科综述(IF: 9.04)] 和3篇Wiley书籍章节；3篇论文被RIKEN Research, Curr. Opin. Chem. Biol.和Nature China亮点。ISI引用749次(他人引用707次)，H-index: 17。2013年11月应邀到第四届亚洲配位化学会议做邀请报告。