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Why Does Cyclobutane-1,2,3,4-tetraone Have a Triplet Ground State?
报告题目:Why Does Cyclobutane-1,2,3,4-tetraone Have a Triplet Ground State?
报告人:Prof. Weston Thatcher Borden
Department of Chemistry, University of North Texas, Denton, Texas, USA
报告时间:2012109日(星期二)上午 10:00 -11:30
报告地点:独墅湖校区907号楼1445报告厅
 
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报告摘要:
As predicted,1 cyclobutane-1,2,3,4-tetraone, (CO)4, has been found by negative ion photo-electron spectroscopy to have a triplet ground state.2 Why does this apparently unexceptional organic molecule have a ground state with two unpaired electrons? Which, if any, other members of the (CO)n series are calculated to have a triplet ground state? Is (CS)4 or (CSe)4 predicted to have a triplet ground state? What are the factors that control the spin of the ground state of these molecules? All of these questions will be addressed in this lecture.
 
1 X. Zhou, D. A. Hrovat, W. T. Borden, J. Phys. Chem. A 2010, 114, 1304.
2J.-C. Guo, G.-L. Hou, S. D. Li, X.-B. Wang, J. Phys. Chem. Lett. 2012. 3, 304.
 
Weston Thatcher Borden教授简介
 
After receiving a B.A. degree from Harvard in 1964, Wes Borden spent a year on a Fulbright Fellowship, studying theoretical chemistry with H.C. Longuet-Higgins in Cambridge, England. Professor Borden completed his Ph.D. degree at Harvard in 1968, under the direction of E. J. Corey, and then served five years on the Harvard Faculty, before moving to the University of Washington. After 31 years at University of Washington, in 2004 Professor Borden accepted the first Welch Chair of Chemistry at the University of North Texas.
 
Among Professor Borden’s awards are fellowships from the Sloan and Guggenheim Foundations, from the Japanese Society for Promotion of Science, and a Wilsmore Fellowship from the University of Melbourne. Professor Borden has also received a Senior Scientist Award from the Alexander von Humboldt Foundation and a Cope Senior Scholar Award from the American Chemical Society. In 2011, he received the James Flack Norris Award in Physical Organic Chemistry from the American Chemical Society. He is a Fellow of the American Association for the Advancement of Science, and for the past ten years he has served as an Associate Editor of the Journal of the American Chemical Society.
 
Professor Borden’s current research interests are centered around the application of electronic structure calculations to understanding and predicting the reactions of organic and organometallic compounds.
 
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物理化学研究所
2012-9-28