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The Mechanism of the Photochemical Hydrogen Migration in 1,3,5‐Cycloheptatriene: A Theoretical Study
Author(s) -
Steuhl HansMartin,
Bornemann Christian,
Klessinger Martin
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19990802)5:8<2404::aid-chem2404>3.0.co;2-#
Subject(s) - cycloheptatriene , mechanism (biology) , photochemistry , hydrogen , chemistry , physics , organic chemistry , quantum mechanics
Excited‐state barriers are decisive for the regioselectivity of the [1,7]‐H‐shift reaction in cycloheptatrienes (see diagram). This follows from the detailed mechanism which was established theoretically and is in excellent agreement with recent femtosecond spectroscopy experiments.