Premium
The Distortive Tendency of Benzene π Electrons: How Is It Related to Structural Observables?
Author(s) -
Shurki Avital,
Shaik Sason
Publication year - 1997
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.199722051
Subject(s) - excited state , observable , benzene , electron , ground state , atomic physics , simple (philosophy) , state (computer science) , nucleus , physics , chemistry , molecular physics , biology , nuclear physics , quantum mechanics , computer science , microbiology and biotechnology , organic chemistry , philosophy , epistemology , algorithm
Why does the benzene nucleus have a structure similar to cyclohexatriene in the ground state 1 , and a virtually D 6h ‐symmetrical structure in the π → π * excited state 2 ? A simple model based on the distortive propensity of the π electrons in the ground state and their opposite tendency in the excited state predicts this behavior, and more.