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Excited‐State Carbon Acids: Theoretical Studies of Suberene and Cycloheptatriene
Author(s) -
Steuhl HansMartin,
Klessinger Martin
Publication year - 1995
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199424311
Subject(s) - cycloheptatriene , excited state , deprotonation , ring (chemistry) , derivative (finance) , closure (psychology) , trace (psycholinguistics) , relaxation (psychology) , chemistry , state (computer science) , carbon fibers , atomic physics , computational chemistry , photochemistry , physics , mathematics , organic chemistry , financial economics , economics , market economy , ion , social psychology , psychology , composite number , linguistics , philosophy , algorithm
Hydrogen shift and ring closure instead of deprotonation: Cycloheptatriene ( 2 ) does not show the photoreactivity expected from MO considerations, in contrast with the dibenzo derivative 1 . Semiempirical calculations trace this difference to the crossing of states on relaxation of the excited state of 2 .