DFT calculations bring insight to internal alkyne-to-vinylidene transformations at rhodium PNP- and PONOP-pincer complexes
Author:
Affiliation:
1. Department of Chemistry
2. University of Bath
3. Bath
4. UK
Abstract
Through DFT calculations, the equilibrium between Rh–alkyne and Rh–vinylidene species of PXNXP pincer ligated Rh cationic complexes is shown to be tuned by the P–Rh–P bite angle, which in turn is dictated by the nature of the X moiety of the pincer ligand.
Funder
Engineering and Physical Sciences Research Council
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/RA/D0RA08764E
Reference47 articles.
1. Rh-Catalyzed Anti-Markovnikov Hydrocyanation of Terminal Alkynes
2. A Combined Experimental and Computational Study on the Cycloisomerization of 2-Ethynylbiaryls Catalyzed by Dicationic Arene Ruthenium Complexes
3. Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes
4. Transition Metal Vinylidene- and Allenylidene-Mediated Catalysis in Organic Synthesis
5. Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to π-Backbond
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1. Double 1,2-Migration of Bromine and Silicon in Directed C-H Alkynylation Reactions with Silyl-Substituted Alkynyl Bromides through an Iridium Vinylidene Intermediate;ORGANOMETALLICS;2022
2. Double 1,2-Migration of Bromine and Silicon in Directed C–H Alkynylation Reactions with Silyl-Substituted Alkynyl Bromides through an Iridium Vinylidene Intermediate;Organometallics;2021-12-29
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