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Roles of kinetic and potential energies in conjugation II. Aniline and nitrobenzene
Author(s) -
Ichikawa Hiroshi,
Sameshima Keiichiro
Publication year - 1990
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610030906
Subject(s) - nitrobenzene , aniline , substituent , chemistry , kinetic energy , polar effect , photochemistry , computational chemistry , medicinal chemistry , organic chemistry , catalysis , physics , quantum mechanics
An analysis of the energy components of the conjugation energy between the substituent and the phenyl group in aniline and nitrobenzene showed that there are two types of conjugation: the conjugation energy in aniline, with an electron‐donating substituent, is given by the decrease in the kinetic energy of elctrons, whereas that in nitrobenzene, with an electron‐withdrawing substituent, is caused by the decrease in the potential energy. Physical interpretations are given of the arrows in the organic electron theory of these compounds.