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The Twin-Excited State as a Probe for the Transition State in Concerted Unimolecular Reactions: The Semibullvalene Rearrangement

1998; Wiley; Volume: 37; Issue: 10 Linguagem: Inglês

10.1002/(sici)1521-3773(19980605)37

1521-3773

Shmuel Zilberg, Yehuda Haas, David Danovich, Sason Shaik,

Molecular Spectroscopy and Structure

Angewandte Chemie International EditionVolume 37, Issue 10 p. 1394-1397 Communication The Twin-Excited State as a Probe for the Transition State in Concerted Unimolecular Reactions: The Semibullvalene Rearrangement Shmuel Zilberg, Shmuel Zilberg shmuel@chem.ch.huji.ac.il Department of Physical Chemistry and the Farkas Center for Light Induced Processes, The Hebrew University, Jerusalem, 91904 (Israel), Fax: (+972) 2-561-8033Search for more papers by this authorYehuda Haas, Yehuda Haas yehuda@chem.ch.huji.ac.il Department of Physical Chemistry and the Farkas Center for Light Induced Processes, The Hebrew University, Jerusalem, 91904 (Israel), Fax: (+972) 2-561-8033Search for more papers by this authorDavid Danovich, David Danovich Department of Organic Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University, Jerusalem (Israel)Search for more papers by this authorSason Shaik, Sason Shaik Department of Organic Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University, Jerusalem (Israel)Search for more papers by this author Shmuel Zilberg, Shmuel Zilberg shmuel@chem.ch.huji.ac.il Department of Physical Chemistry and the Farkas Center for Light Induced Processes, The Hebrew University, Jerusalem, 91904 (Israel), Fax: (+972) 2-561-8033Search for more papers by this authorYehuda Haas, Yehuda Haas yehuda@chem.ch.huji.ac.il Department of Physical Chemistry and the Farkas Center for Light Induced Processes, The Hebrew University, Jerusalem, 91904 (Israel), Fax: (+972) 2-561-8033Search for more papers by this authorDavid Danovich, David Danovich Department of Organic Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University, Jerusalem (Israel)Search for more papers by this authorSason Shaik, Sason Shaik Department of Organic Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University, Jerusalem (Israel)Search for more papers by this author First published: 17 December 1998 https://doi.org/10.1002/(SICI)1521-3773(19980605)37:10 3.0.CO;2-JCitations: 26AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract A twin of the transition state, which can be investigated spectroscopically and can thus supply information about the structure of the transition state, has now been characterized for the Cope rearrangement of semibullvalene (shown below). It involves an excited state with B2 symmetry and results from a linear combination of the ground-state wave functions of (mirror-image) reactant and product. Citing Literature Volume37, Issue10June 5, 1998Pages 1394-1397 RelatedInformation