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Electron Fluctuation in Pericyclic and Pseudopericyclic Reactions
Author(s) -
Matito Eduard,
Poater Jordi,
Duran Miquel,
Solà Miquel
Publication year - 2006
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200500446
Subject(s) - pericyclic reaction , mechanism (biology) , chemistry , computational chemistry , electron , function (biology) , chemical physics , statistical physics , physics , quantum mechanics , evolutionary biology , biology
Borderline cases: Differentiating between pericyclic and pseudopericyclic reactions is controversial. The authors analyze the electron distribution of the transition state of some known and some controversial reactions by means of the electron localization function (ELF) to elucidate their mechanism (see figure). This analysis provides a definitive criterion to distinguish between both electrocyclic processes.