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List of works by Stuart A Macgregor

14-Vertex Heteroboranes with 14 Skeletal Electron Pairs: An Experimental and Computational Study.

scientific article published on 2 June 2016

A Neutral Heteroatomic Zintl Cluster for the Catalytic Hydrogenation of Cyclic Alkenes

scientific article published on 14 October 2020

A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques

scientific article

A Structurally Characterized Cobalt(I) σ-Alkane Complex

scientific article published on 20 February 2020

A combined experimental and computational study of fluxional processes in sigma amine-borane complexes of rhodium and iridium.

scientific article

A computational study of the methanolysis of palladium-acyl bonds

scientific article published on 11 January 2007

A highly reactive rhodium(I)-boryl complex as a useful tool for C-H bond activation and catalytic C-F bond borylation.

scientific article published in May 2010

Accurate computed spin-state energetics for Co(iii) complexes: implications for modelling homogeneous catalysis

scientific article published on 04 May 2020

Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).

scientific article published on 4 August 2016

Activation of an alkyl C-H bond geminal to an agostic interaction: an unusual mode of base-induced C-H activation

scientific article published in April 2009

Adducts of the supraicosahedral stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; synthetic, structural and computational studies.

scientific article published on 18 February 2009

Alkyl dehydrogenation in a Rh(I) complex via an isolated agostic intermediate

scientific article published on 19 November 2008

Base-Promoted, Remote C-H Activation at a Cationic (η-CMe)Ir(III) Center Involving Reversible C-C Bond Formation of Bound CMe

scientific article published on 05 February 2019

Benzoate Cyclometalation Enables Oxidative Addition of Haloarenes at a Ru(II) Center

article

Beyond the icosahedron: the first 13-vertex carborane

scientific article published on 01 January 2003

Catalytic hydrodefluorination of pentafluorobenzene by [Ru(NHC)(PPh3)2(CO)H2]: a nucleophilic attack by a metal-bound hydride ligand explains an unusual ortho-regioselectivity

scientific article published on 17 February 2011

Chirality Transfer in Gold(I)-Catalysed Direct Allylic Etherifications of Unactivated Alcohols: Experimental and Computational Study

scientific article

Cobalt-Catalyzed Oxidase C-H/N-H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents

scientific article published on 15 March 2016

Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-H functionalization of pyrazoles with alkynes

scientific article published on 24 February 2014

Combined experimental and computational investigations of rhodium-catalysed C - H functionalisation of pyrazoles with alkenes

scientific article published on 17 December 2014

Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese.

scientific article

Competing C-F activation pathways in the reaction of Pt(0) with fluoropyridines: phosphine-assistance versus oxidative addition

scientific article

Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H]0/+ species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H-, F- and Cl-) and their [Ru(R2PCH2CH2PR2)2(L)H]+ congeners.

scientific article

Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centers

scientific article

Computational and synthetic studies on the cyclometallation reaction of dimethylbenzylamine with [IrCl2Cp*]2: role of the chelating base.

scientific article published on 24 June 2009

Computational chemistry of molecular inorganic systems

scientific article published on 29 September 2011

Computational studies on the mechanism of the gold(i)-catalysed rearrangement of cyclopropenes

scientific article published on 04 May 2012

Computational study of ethene hydroarylation at [Ir(κ(2)-OAc)(PMe3)Cp]+.

scientific article published on 7 October 2010

Computational study of the double C-Cl bond activation of dichloromethane and phosphine alkylation at [CoCl(PR3)3].

scientific article published in March 2013

Computational study of the mechanism of cyclometalation by palladium acetate

scientific article

Computational study of the reaction of C6F6 with [IrMe(PEt3)3]: identification of a phosphine-assisted C-F activation pathway via a metallophosphorane intermediate

scientific article published on 25 October 2008

Correction: Dehydrocoupling of phosphine-boranes using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] precatalyst: stoichiometric and catalytic studies

scientific article published on 09 February 2016

C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales

article

Dehydrocoupling of phosphine-boranes using the [RhCp*Me(PMe)(CHCl)][BAr] precatalyst: stoichiometric and catalytic studies

Dehydrogenative boron homocoupling of an amine-borane

scientific article published on 22 July 2013

Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts

scientific article published on 29 December 2017

Electrophilic C-H activation at Cp*Ir: ancillary-ligand control of the mechanism of C-H activation

scientific article published on 01 April 2006

Exceedingly Facile Ph-X Activation (X = Cl, Br, I) with Ruthenium(II): Arresting Kinetics, Autocatalysis, and Mechanisms

scientific article

Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3 )] and [(NHC)Cu(HB(C6 F5 )3 )].

scientific article

Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles

scientific article published on 22 July 2015

Experimental and computational investigation of C-N bond activation in ruthenium N-heterocyclic carbene complexes.

scientific article

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?

scientific article published in September 2010

Fluxionality of [(Ph3P)3Rh(X)]: the extreme case of X = CF3

scientific article published on 01 April 2009

Formation of [Ru(NHC)4(eta(2)-O2)H]+: an unusual, high frequency hydride chemical shift and facile, reversible coordination of O2.

scientific article published in July 2009

Gold(I)-catalysed direct thioetherifications using allylic alcohols: an experimental and computational study

scientific article published on 30 July 2014

Gold-Catalyzed Proto- and Deuterodeboronation

scientific article published on 28 June 2015

Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).

scientific article published in March 2015

Impact of the Novel Z-Acceptor Ligand Bis{(ortho-diphenylphosphino)phenyl}zinc (ZnPhos) on the Formation and Reactivity of Low-Coordinate Ru(0) Centers

scientific article published on 19 October 2020

Intramolecular alkyl phosphine dehydrogenation in cationic rhodium complexes of tris(cyclopentylphosphine).

scientific article published in January 2008

Isomerisation of nido-[C2B10H12]2- dianions: unprecedented rearrangements and new structural motifs in carborane cluster chemistry.

scientific article published on 24 March 2015

Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies.

scientific article published on 04 August 2016

Mechanisms of C-H bond activation: rich synergy between computation and experiment.

scientific article published on 10 June 2009

Mechanisms of catalyst poisoning in palladium-catalyzed cyanation of haloarenes. remarkably facile C-N bond activation in the [(Ph3P)4Pd]/[Bu4N]+ CN- system.

scientific article

Mild sp2Carbon-Oxygen Bond Activation by an Isolable Ruthenium(II) Bis(dinitrogen) Complex: Experiment and Theory

scientific article

Model studies of beta-scission ring-opening reactions of cyclohexyloxy radicals: application to thermal rearrangements of dispiro-1,2,4-trioxanes

scientific article published on 29 November 2007

Modulation of σ-Alkane Interactions in [Rh(L2)(alkane)]+ Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η2,η2-σ-Alkane Rh(I), η1-σ-Alkane Rh(III) Complexes, and Alkane Encapsula

scientific article published in 2018

N,N-Chelate-control on the regioselectivity in acetate-assisted C-H activation

scientific article published on 29 January 2013

New chemistry of 1,2-closo-P2B10H10 and 1,2-closo-As2B10H10; in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.

scientific article published on 10 June 2011

On the prebiotic potential of reduced oxidation state phosphorus: the H-phosphinate-pyruvate system

scientific article

Palladium-catalyzed direct C-H functionalization of benzoquinone

scientific article published on 10 October 2014

Photochemical isomerization of N-heterocyclic carbene ruthenium hydride complexes: in situ photolysis, parahydrogen, and computational studies

scientific article published on 01 June 2006

Reactivity of the latent 12-electron fragment [Rh(PiBu3)2]+ with aryl bromides: aryl-Br and phosphine ligand C-H activation.

scientific article published on July 2010

Redox-mediated reactions of vinylferrocene: toward redox auxiliaries

scientific article published on 11 April 2016

Reductive Elimination at Carbon under Steric Control

scientific article published on 14 June 2019

Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes

scientific article published on 16 July 2019

Room Temperature Iron-Catalyzed Transfer Hydrogenation and Regioselective Deuteration of Carbon-Carbon Double Bonds

scientific article published on 19 December 2018

Room Temperature Regioselective Catalytic Hydrodefluorination of Fluoroarenes with trans-[Ru(NHC)4 H2 ] through a Concerted Nucleophilic Ru-H Attack Pathway

scientific article published on 9 January 2017

Room-temperature C-C bond cleavage of an arene by a metallacarborane

scientific article published on 01 July 2010

Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange

scientific article published on 15 September 2016

Smooth C(alkyl)–H bond activation in rhodium complexes comprising abnormal carbene ligands

Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates

scientific article published on 6 July 2017

Solid-state synthesis and characterization of σ-alkane complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = bidentate chelating phosphine).

scientific article published on 12 January 2015

Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups

scientific article published on 10 March 2011

Structure, Reactivity, and Computational Studies of a Novel Ruthenium Hydrogen Sulfide Dihydride Complex

scientific article published on 01 December 2003

Supraicosahedral indenyl cobaltacarboranes.

scientific article published on 4 May 2010

Symmetric and asymmetric 13-vertex bimetallacarboranes by polyhedral expansion

scientific article published on 9 May 2007

Synthesis and characterization of a rhodium(I) σ-alkane complex in the solid state

scientific article

Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.

scientific article published on 10 June 2016

Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes

scientific article published on 04 September 2013

Synthetic, structural and computational studies on adducts of the 4,1,2-SnC2B10 supraicosahedral stannacarborane.

scientific article published on 27 January 2010

The F/Ph rearrangement reaction of [(Ph3P)3RhF], the fluoride congener of Wilkinson's catalyst

scientific article

The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation

scientific article published on 24 May 2019

The Simplest Amino-borane H2 B=NH2 Trapped on a Rhodium Dimer: Pre-Catalysts for Amine-Borane Dehydropolymerization

scientific article published on 21 April 2016

The conformations of 13-vertex ML2C2B10 metallacarboranes: experimental and computational studies

scientific article published on 22 February 2007

The influence of N-heterocyclic carbenes (NHC) on the reactivity of [Ru(NHC)(4)H](+) with H(2), N(2), CO and O(2).

scientific article published in October 2009

The mechanism of reduction and metalation of para carboranes: the missing 13-vertex MC2B10 isomer

scientific article published in January 2007

Theoretical Study of the Electronic Structure of Group 6 [M(CO)(5)X](-) Species (X = NH(2), OH, Halide, H, CH(3)) and a Reinvestigation of the Role of pi-Donation in CO Lability

scientific article published on 01 October 1999

Three-coordinate nickel(I) complexes stabilised by six-, seven- and eight-membered ring n-heterocyclic carbenes: synthesis, EPR/DFT studies and catalytic activity

scientific article published on 4 January 2013

Understanding electronic effects on carboxylate-assisted C-H activation at ruthenium: the importance of kinetic and thermodynamic control

scientific article published on 01 December 2019

Unprecedented steric deformation of ortho-carborane

scientific article published on 19 September 2008

Well-Defined Heterobimetallic Reactivity at Unsupported Ruthenium-Indium Bonds.

scientific article published on 14 December 2017

Why Is .beta.-Me Elimination Only Observed in d0 Early-Transition-Metal Complexes? An Organometallic Hyperconjugation Effect with Consequences for the Termination Step in Ziegler-Natta Catalysis

Why Nickel(II) Binds CO Best in Trigonal Bipyramidal and Square Pyramidal Geometries and Possible Consequences for CO Dehydrogenase

scholarly article by Stuart A Macgregor et al published August 1994 in Inorganic Chemistry

Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate

scientific article published on 17 March 2020

[Ir(PCy3)2(H)2(H2B-NMe2)]+ as a latent source of aminoborane: probing the role of metal in the dehydrocoupling of H3B⋅NMe2H and retrodimerisation of [H2BNMe2]2

scientific article published on 14 February 2011

[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.

scientific article

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