Literature DB >> 12596544

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

Brian E Applegate1, Timothy A Barckholtz, Terry A Miller.   

Abstract

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+, Ag3 and CH3O.

Entities:  

Year:  2003        PMID: 12596544     DOI: 10.1039/a910269h

Source DB:  PubMed          Journal:  Chem Soc Rev        ISSN: 0306-0012            Impact factor:   54.564


  2 in total

1.  Metal-organic charge transfer can produce biradical states and is mediated by conical intersections.

Authors:  Oksana Tishchenko; Ruifang Li; Donald G Truhlar
Journal:  Proc Natl Acad Sci U S A       Date:  2010-10-29       Impact factor: 11.205

2.  Observation of the geometric phase effect in the H+HD→H2+D reaction below the conical intersection.

Authors:  Daofu Yuan; Yin Huang; Wentao Chen; Hailin Zhao; Shengrui Yu; Chang Luo; Yuxin Tan; Siwen Wang; Xingan Wang; Zhigang Sun; Xueming Yang
Journal:  Nat Commun       Date:  2020-07-20       Impact factor: 14.919

  2 in total

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