A DFT Study on the Thermal Aryl Migration in Aryliodonium Ylides. Support for a Concerted Mechanism

A DFT study on the intramolecular thermal phenyl migration in iodonium ylides supports a concerted mechanism. In contrast to the two, different than each other, suggested mechanisms, involving only intermediates, this study indicates a single-step, transition-state oneinvolving a five-membered cyclic ringwith no intermediates. The frontier-orbital-controlled migration also confirms the different thermal behavior of two different ylides.

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PID https://www.doi.org/10.1021/jo0610964
PID https://www.doi.org/10.1021/jo0610964.s001
URL http://dx.doi.org/10.1021/jo0610964
URL http://europepmc.org/abstract/MED/16930064
URL https://figshare.com/articles/journal_contribution/A_DFT_Study_on_the_Thermal_Aryl_Migration_in_Aryliodonium_Ylides_Support_for_a_Concerted_Mechanism/3061990
URL https://www.ncbi.nlm.nih.gov/pubmed/16930064
URL https://pubs.acs.org/doi/abs/10.1021/jo0610964
URL https://pubs.acs.org/doi/pdf/10.1021/jo0610964
URL https://academic.microsoft.com/#/detail/2038374708
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Access Right Open Access
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Author Bakalbassis, Evangelos G.
Author Spyroudis, Spyros
Author Tsiotra, Elizabeth
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Collected From figshare; Crossref; Microsoft Academic Graph
Hosted By figshare; The Journal of Organic Chemistry
Journal The Journal of Organic Chemistry, 71, null
Publication Date 2016-02-29
Publisher American Chemical Society (ACS)
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Source https://science-innovation-policy.openaire.eu/search/publication?articleId=dedup_wf_001::73a495dc11c0cc920a3e358f429eaf44
Author jsonws_user
Last Updated 26 December 2020, 22:20 (CET)
Created 26 December 2020, 22:20 (CET)