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Dynamic Behavior of Organic Reactive Intermediates
Author(s) -
Carpenter Barry K.
Publication year - 1998
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(19981231)37:24<3340::aid-anie3340>3.0.co;2-1
Subject(s) - product (mathematics) , reactive intermediate , interpretation (philosophy) , preference , kinetic energy , chemistry , statistical physics , chemical physics , computational chemistry , biochemical engineering , theoretical physics , computer science , physics , mathematics , organic chemistry , engineering , catalysis , classical mechanics , statistics , geometry , programming language
An unexpected yes is the answer the author gives to the following questions: If a reactive intermediate was faced with two equally high energy barriers to product formation, could the kinetic product ratio ever be anything other than 1:1? If the two barriers were of unequal height, could there ever be a preference to form the product that corresponds to the higher barrier pathway? The basis for this yes are the results from molecular dynamics simulations and experiments that suggest that the interpretation of reaction mechanisms by statistical models is not always correct.