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ELECTRONIC PROPERTIES AND PHOTOCHEMICAL MONOMOLECULAR REACTIONS IN ORGANIC CONJUGATED COMPOUNDS: PHOTOCYCLIZATIONS, PHOTOISOMERIZATIONS AND PHOTOCHEMICAL REARRANGEMENTS—II
Author(s) -
Malrieu J. P.
Publication year - 1966
Publication title -
photochemistry and photobiology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.818
H-Index - 131
eISSN - 1751-1097
pISSN - 0031-8655
DOI - 10.1111/j.1751-1097.1966.tb05799.x
Subject(s) - photochemistry , conjugated system , excited state , steric effects , chemistry , ground state , molecule , computational chemistry , stereochemistry , atomic physics , organic chemistry , physics , polymer
— Using theoretical indexes derived in Part I and Huckel and unrestricted Hartree‐Fock wave‐functions, the stabilizing deformation of the excited molecule is studied for a large number of planar conjugated compounds presenting monomolecular photo‐reactions: it is shown that in all the cases, the potential hole of the excited state of the initial molecule is strikingly displaced from its ground state configuration towards the fundamental configuration of the photoproduct. The possible influences of others electronic, steric and vibratory factors in particular are discussed in the study of photocyclization of 1–3 cis‐butadiene derivatives.