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Title: Dynamic correlation diagrams for sigmatropic reactions based on orbital phase conservation theory
Authors: Nohira, Hiroyuki
Nohira, Toshiyuki  kyouindb  KAKEN_id
Author's alias: 野平, 俊之
Keywords: Bond theory
dynamic correlation diagram
orbital phase conservation theory
sigmatropic rearrangement
Issue Date: Sep-2017
Publisher: World Scientific Publishing
Journal title: Journal of Theoretical and Computational Chemistry
Volume: 16
Issue: 6
Thesis number: 1750055
Abstract: For sigmatropic reactions, such as [1, 3] and [1, 5] hydrogen shifts, the Cope and Claisen rearrangements, and the Berson–Nelson rearrangement, no correlation diagrams consistent with the classical electronic formulas have been reported. Here, we report dynamic correlation diagrams for these sigmatropic reactions based on orbital phase conservation theory. The diagrams are consistent with both the selection rules of sigmatropic reactions proposed by Woodward and Hoffmann and classical electronic formulas.
Rights: © The Author(s)
This is an Open Access article published by World Scientific Publishing Company. It is distributed under the terms of the Creative Commons Attribution 4.0 (CC-BY) License. Further distribution of this work is permitted, provided the original work is properly cited.
URI: http://hdl.handle.net/2433/227300
DOI(Published Version): 10.1142/S0219633617500559
Appears in Collections:Journal Articles

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