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Mechanism of photooxidation: Interpretation of the substituent effects in the photooxidation of acenic derivatives
Author(s) -
Chalvet O.,
Daudel R.,
Ponce C.,
Rigaudy J.
Publication year - 1968
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560020409
Subject(s) - delocalized electron , substituent , chemistry , interpretation (philosophy) , computational chemistry , photochemistry , mechanism (biology) , extension (predicate logic) , chemical physics , stereochemistry , physics , organic chemistry , quantum mechanics , computer science , programming language
It has been observed that some substituents introduced in acenic derivatives are able to change the site of the fixation of oxygen during photooxidation. It is not possible to interpret this phenomenon by calculating the paralocalization energies. However, if an intermediate complex is introduced, which corresponds to an extension of the delocalized bond, a satisfactory explanation of the experimental results is possible.