Explorations of conical intersections and their ramifications for chemistry through the Jahn-Teller effect

被引:92
作者
Applegate, BE
Barckholtz, TA
Miller, TA
机构
[1] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
[2] ExxonMobile Res & Engn, Annandale, NJ 08801 USA
[3] Ohio State Univ, Dept Chem, Laser Spect Facil, Columbus, OH 43210 USA
关键词
D O I
10.1039/a910269h
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Much recent progress has been made theoretically and computationally towards understanding the importance of conical intersections for chemical reactions. Nonetheless, experimental characterization of conical intersections has proven extremely difficult with one striking exception: the Jahn-Teller conical intersection. This article overviews the fundamental similarity of a variety,of conical intersections and demonstrates how the spectroscopy of Jahn-Teller Active molecules can be used to characterize them. Specific results are reviewed for four representative Jahn-Teller active molecules, C5H5, C6H6+, Ag-3 and CH3O.
引用
收藏
页码:38 / 49
页数:12
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