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|Title:||Dynamic correlation diagrams for sigmatropic reactions based on orbital phase conservation theory|
|Author's alias:||野平, 俊之|
dynamic correlation diagram
orbital phase conservation theory
|Publisher:||World Scientific Publishing|
|Journal title:||Journal of Theoretical and Computational Chemistry|
|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.
|Appears in Collections:||Journal Articles|
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