Copper-Catalyzed Eglinton Oxidative Homocoupling of Terminal Alkynes: A Computational Study
Author
Source
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-12-28
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
The copper(II) acetate mediated oxidative homocoupling of terminal alkynes, namely, the Eglinton coupling, has been studied with DFT methods.
The mechanism of the whole reaction has been modeled using phenylacetylene as substrate.
The obtained results indicate that, in contrast to some classical proposals, the reaction does not involve the formation of free alkynyl radicals and proceeds by the dimerization of copper(II) alkynyl complexes followed by a bimetallic reductive elimination.
The calculations demonstrate that the rate limiting-step of the reaction is the alkyne deprotonation and that more acidic substrates provide faster reactions, in agreement with the experimental observations.
American Psychological Association (APA)
Jover, Jesús. 2015. Copper-Catalyzed Eglinton Oxidative Homocoupling of Terminal Alkynes: A Computational Study. Journal of Chemistry،Vol. 2015, no. 2015, pp.1-8.
https://search.emarefa.net/detail/BIM-1067460
Modern Language Association (MLA)
Jover, Jesús. Copper-Catalyzed Eglinton Oxidative Homocoupling of Terminal Alkynes: A Computational Study. Journal of Chemistry No. 2015 (2015), pp.1-8.
https://search.emarefa.net/detail/BIM-1067460
American Medical Association (AMA)
Jover, Jesús. Copper-Catalyzed Eglinton Oxidative Homocoupling of Terminal Alkynes: A Computational Study. Journal of Chemistry. 2015. Vol. 2015, no. 2015, pp.1-8.
https://search.emarefa.net/detail/BIM-1067460
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1067460