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Orbital Correspondence Analysis in Maximum Symmetry
Author(s) -
Halevi E. Amitai
Publication year - 1976
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.197605931
Subject(s) - isomerization , cyclobutadiene , polyene , notation , symmetry (geometry) , cycloaddition , computational chemistry , chemistry , physics , mathematics , geometry , organic chemistry , catalysis , molecule , arithmetic
The use of Orbital Correspondence Analysis in Maximum Symmetry (OCAMS) for determining the allowed course of a reaction is described in terms of the familiar “A, S” notation. Several well known thermal and photochemical reactions are used as examples: Polyene cyclization; the fragmentation and dimerization of cyclobutadiene; [ π 4 + π 2] cycloaddition; the isomerization of Dewar‐benzene. The relation of OCAMS to the classical correlation procedures of Woodward and Hoffmann and of Longuet‐Higgins and Abrahamson is brought out, as are the sources of the occasionally contradictory predictions of OCAMS and of the classical procedures.