D
D. Christopher Roe
Researcher at Heriot-Watt University
Publications - 4
Citations - 337
D. Christopher Roe is an academic researcher from Heriot-Watt University. The author has contributed to research in topics: Catalysis & Rearrangement reaction. The author has an hindex of 4, co-authored 4 publications receiving 316 citations.
Papers
More filters
Journal ArticleDOI
The F/Ph rearrangement reaction of [(Ph3P)3RhF], the fluoride congener of Wilkinson's catalyst.
Stuart MacGregor,D. Christopher Roe,William J. Marshall,Karen M. Bloch,Vladimir I. Bakhmutov,Vladimir V. Grushin +5 more
TL;DR: Theoretical studies of F/Ph exchange with the [(PH(3))(2)(PH(2)Ph)RhF] model system pointed to two possible mechanisms: (i) Ph transfer to Rh followed by F transfer to P (formally oxidative addition followed by reductive elimination, pathway 1) and (ii) Ftransfer to produce a metallophosphorane with subsequent PhTransfer to Rh (pathway 2).
Journal ArticleDOI
Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C−N Bond Activation in the [(Ph3P)4Pd]/[Bu4N]+ CN- System
Stefan Erhardt,Vladimir V. Grushin,Alison H. Kilpatrick,Stuart MacGregor,William J. Marshall,D. Christopher Roe +5 more
TL;DR: Experimental studies suggest that electron-rich mixed cyano phosphine Pd(0) species are responsible for this unusual reaction, and a combination of experimental and computational studies demonstrate that in this case C-N activation occurs via an S(N)2-type displacement of amine and rule out alternative 3-center C- N oxidative addition or Hofmann elimination processes.
Journal ArticleDOI
Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson’s Catalyst?
Jenni Goodman,Vladimir V. Grushin,Roman B. Larichev,Stuart MacGregor,William J. Marshall,D. Christopher Roe +5 more
TL;DR: NMR studies of intramolecular exchange in [(Ph(3)P)(3)Rh(X)] have produced full sets of activation parameters for X = CH(3), H, Ph, Cl, and Computational studies have shown that for strong trans influence ligands, the rearrangement occurs via a near-trigonal transition state that is made more accessible by bulkier ligands and strongly donating X.
Journal ArticleDOI
Fluxionality of [(Ph3P)3Rh(X)]: the extreme case of X = CF3.
Jenni Goodman,Vladimir V. Grushin,Roman B. Larichev,Stuart MacGregor,William J. Marshall,D. Christopher Roe +5 more
TL;DR: A resolution of the long-standing contradiction between the electron-withdrawing effect of CF(3) in organic compounds and its strong trans influence (electron donation) in metal complexes is provided.