Publications |
2023 |
[187]. | Bridges and Vertices in Heteroboranes |
[186]. | A Comparison of Non-Covalent Interactions in the Crystal Structures of two σ-Alkane Complexes of Rh Exhibiting Contrasting Stabilities in the Solid State.
|
[185]. | Understanding and Expanding Zinc Cation/Amine Frustrated Lewis Pair Catalyzed C–H Borylation |
[184]. | Solid-State Confinement Effects in Selective exo-H/D Exchange in the Rhodium σ-Norbornane Complex [(Cy2PCH2CH2PCy2)Rh(η2:η2-C7H12)][BArF4] |
2022 |
[183]. | Experimental and Computational Studies of Ruthenium Complexes Bearing Z-Acceptor Aluminum-Based Phosphine Pincer Ligands |
[182]. | Single-Crystal to Single-Crystal Addition of H2 to [Ir(iPr-PONOP)(propene)][BArF4] and Comparison Between Solid-State and Solution Reactivity |
[181]. | Dehydropolymerization of H3B·NMeH2 Mediated by Cationic Iridium(III) Precatalysts Bearing κ3-iPr-PNRP Pincer Ligands (R = H, Me): An Unexpected Inner-Sphere Mechanism |
[180]. | Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand |
[179]. | Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex |
[178]. | Zinc-Promoted ZnMe/ZnPh Exchange in Eight-Coordinate [Ru(PPh3)2(ZnMe)4H2] |
[177]. | Inverse Isotope Effects in Single-Crystal to Single-Crystal Reactivity and the Isolation of a Rhodium Cyclooctane σ-Alkane Complex |
[176]. | MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]- anion, via on-grid solid/gas single-crystal to single-crystal reactivity |
[175]. | Experimental and Computational Studies on the Acetate-Assisted C–H Activation of N-Aryl Imidazolium Salts at Rhodium and Iridium: A Chloride Additive Changes the Selectivity of C–H Activation |
2021 |
[174]. | Controlled Synthesis of Well-Defined Polyaminoboranes on Scale Using a Robust and Efficient Catalyst |
[173]. | Bonding and Reactivity of a Pair of Neutral and Cationic Heterobimetallic RuZn2 Complexes |
[172]. | Isomerization of a cationic (η5-C5Me5)Ir(III) complex involving remote C–C and C–H bond formation |
[171]. | [Ni(NHC)2] as a Scaffold for Structurally Characterized trans-[H–Ni–PR2] and trans-[R2P–Ni–PR2] Complexes |
[170]. | Ortho-aryl substituted DPEphos ligands: rhodium complexes featuring C-H anagostic interactions and B-H agostic bonds |
[169]. | Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis |
[168]. | A Series of Crystallographically Characterized Linear and Branched σ-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane |
[167]. | Selectivity of Rh⋯H-C Binding in a σ-Alkane Complex Controlled by the Secondary Microenvironment in the Solid-State. |
2020 |
[166]. | Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of Rh σ-Alkane Complexes, in: Structure and Bonding. Springer, Berlin, Heidelberg. |
[165]. | Impact of the Novel Z-Acceptor Ligand Bis{(ortho-diphenylphosphino)phenyl}zinc (ZnPhos) on the Formation and Reactivity of Low-Coordinate Ru(0) Centers |
[164]. | A Neutral Heteroatomic Zintl Cluster for the Catalytic Hydrogenation of Cyclic Alkenes |
[163]. | Unexpected Vulnerability of DPEphos to C-O Activation in the Presence of Nucleophilic Metal Hydrides |
[162]. | Accurate computed spin-state energetics for Co(III) complexes: implications for modelling homogeneous catalysis |
[161]. | Zn-Promoted C-H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate |
[160]. | A Structurally Characterized Cobalt(I) sigma-Alkane Complex |
2019 |
[159]. | Understanding electronic effects on carboxylate-assisted C-H activation at ruthenium: the importance of kinetic and thermodynamic control |
[158]. | A Career in Catalysis: Odile Eisenstein |
[157]. | A d10 Ag(I) amine-borane σ-complex and comparison with a d8 Rh(I) analogue: structures on the η1 to η2:η2 continuum |
[156]. | Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes |
[155]. | Reductive Elimination at Carbon under Steric Control |
[154]. | The role of neutral Rh(PONOP)H, free NMe2H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η2-H2)]+ catalyst |
[153]. | The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation. |
[152]. | N-Heterocyclic Carbene Non-Innocence in the Catalytic Hydrophosphination of Alkynes |
[151]. | Base-Promoted, Remote C-H Activation at a Cationic (η5-C5Me5)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C5Me5 |
[150]. | Room Temperature Iron-Catalyzed Transfer Hydrogenation and Regioselective Deuteration of Carbon-Carbon Double Bonds |
2018 |
[149]. | 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 Encapsulation. |
[148]. | Benzoate Cyclometalation Enables Oxidative Addition of Haloarenes at a Ru(II) Center |
[147]. | Controlling Structure and Reactivity in Cationic Solid-State Molecular Organometallic Systems Using Anion Templating |
[146]. | Dehydropolymerization of H3B-NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts, |
[145]. | Well-Defined Heterobimetallic Reactivity at Unsupported Ruthenium-Indium Bonds, |
2017 |
[144]. | Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study, |
[143]. | Mild sp2Carbon-Oxygen Bond Activation by an Isolable Ruthenium(II) Bis(dinitrogen) Complex: Experiment and Theory, |
[142]. | Solid-State Molecular Organometallic Chemistry. Single-Crystal to Single-Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates, |
[141]. | Fluoroarene Complexes with Small Bite Angle Bisphosphines: Routes to Amine-Borane and Aminoborylene Complexes, |
[140]. | Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centres, |
[139]. | Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex, |
[138]. | 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, |
[137]. | Room Temperature Regioselective Catalytic Hydrodefluorination of Fluoroarenes with trans-[Ru(NHC)4H2] through a Concerted Nucleophilic Ru-H Attack Pathway, |
[136]. | Formation of a σ-alkane Complex and a Molecular Rearrangement in the Solid-State: [Rh(Cyp2PCH2CH2PCyp2)(η2:η2-C7H12)][BArF4] |
2016 |
[135]. | Isothiourea-Catalysed Enantioselective Pyrrolizine Synthesis: Synthetic and Computational Studies, |
[134]. | Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)]. |
[133]. | Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange. |
[132]. | Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt]+. |
[131]. | Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes. |
[130]. | 14-Vertex Heteroboranes with 14 Skeletal Electron Pairs: An Experimental and Computational Study. |
[129]. | [Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands. |
[128]. | Redox-Mediated Reactions of Vinylferrocene: Toward Redox Auxilliaries. |
[127]. | Cobalt-Catalyzed Oxidase C-H/N-H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents. |
[126]. | The Simplest Amino-Borane H2B=NH2 Trapped on a Rhodium Dimer: Pre-Catalysts for Amine-Borane Dehydropolymerization. |
[125]. | Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E-H (E = H, B) Bonds. |
[124]. | A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques. |
[123]. | Dehydrocoupling of Phosphone-Boranes using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies. |
2015 |
[122]. | Chirality Transfer in Gold(I)-Catalysed Direct Allylic Etherifications of Unactivated Alcohols: Experimental and Computational Study. |
[121]. | Gold-Catalyzed Proto- and Deuterodeboronation. |
[120]. | Exceedingly Facile Ph-X Activation (X = Cl, Br, I) with Ruthenium(II): Arresting Kinetics, Autocatalysis, and Mechanisms |
[119]. | 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. |
[118]. | Isomerisation of nido-[C2B10H12]2- Dianions: Unprecedented Rearrangements and New Structural Motifs in Carborane Cluster Chemistry. |
[117]. | Icosahedral Metallacarborane/Carborane Species Derived from 1,1-bis(o-carborane). |
[116]. | Stoichiometric and Catalytic Solid-Gas Reactivity of Rhodium Bis-phosphine Complexes. |
[115]. | Combined Experimental and Computational Investigations of Rhodium-Catalysed C-H Functionalisation of Pyrazoles with Alkenes. |
[114]. | Solid-State Synthesis and Characterization of Sigma-Alkane Complexes, [Rh(L2)(η2,η2-C7H12)][BArF4] (L2 = Bidentate Chelating Phosphine). |
[113]. | A Mechanistic Study of Ru-NHC Catalysed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C-F Activation and Chemoselectivity of C-F vs C-H Bond Cleavage. |
2014 |
[112]. | Palladium-Catalyzed Direct C-H Functionalization of Benzoquinone. |
[111]. | Gold(I)-Catalysed Direct Thioetherifications Using Allylic Alcohols: an Experimental and Computational Study. |
[110]. | Multiple Metal-Bound Oligomers from Ir-Catalysed Dehydropolymerisation of H3B?NH3 as Probed by Experiment and Computation. |
[109]. | Metal Control of Selectivity in Acetate-Assisted C-H Bond Activation: An Experimental and Computational Study of Heterocyclic, Vinylic and Phenylic C(sp2)-H Bonds at Ir and Rh. |
[108]. | Combined Experimental and Computational Investigations of Rhodium- and Ruthenium-Catalyzed C-H Functionalization of Pyrazoles with Alkynes. |
[107]. | The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process. |
[106]. | A Combined Experimental and Computational Study of Fluxional Processes in Sigma Amine-Borane Complexes of Rhodium and Iridium. |
2013 |
[105]. | Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance. |
[104]. | Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes. |
[103]. | Rhodium(I) Silyl Complexes for C-F Bond Activation Reactions of Aromatic Compounds: Experimental and Computational Studies. |
[102]. | Dehydrogenative Boron Homocoupling of an Amine-Borane. |
[101]. | Computational study of the hydrodefluorination of fluoroarenes at [Ru(NHC)(PR3)2(CO)(H)2]: predicted scope and regioselectivities. |
[100]. | N,N-Chelate-control on the regioselectivity in acetate-assisted C-H activation. |
[99]. | Computational study of the double C-Cl bond activation of dichloromethane and phosphine alkylation at [CoCl(PR3)3]. |
[98]. | Three-Coordinate Nickel(I) Complexes Stabilised by Six-, Seven- and Eight- Membered Ring N-Heterocyclic Carbenes: Synthesis, EPR/DFT Studies and Catalytic Activity. |
2012 |
[97]. | Synthesis and Characterization of a Rhodium(I) σ-Alkane Complex in the Solid State. |
[96]. | Photochemistry of Cp'Mn(CO)2(NHC) (Cp' = η(5)-C5H4Me) Species: Synthesis, Time-Resolved IR Spectroscopy, and DFT Calculations. |
[95]. | Natural Bond Orbital Analysis of the Electronic Structure of [LnM(CH3)] and [LnM(CF3)] Complexes. |
[94]. | CF3-Ph Reductive Elimination from [(Xantphos)Pd(CF3)(Ph)]. |
[93]. | Computational studies on the mechanism of the gold(I)-catalysed rearrangement of cyclopropenes. |
2011 |
[92]. | Cooperativity in Bimetallic Dihydroalkoxylation Catalysts Built on Aromatic Scaffolds: Significant Rate Enhancements with a Rigid Anthracene Scaffold. |
[91]. | New chemistry of 1,2-closo-P2B10H10 and 1,2-closo-As2B10H10; in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes. |
[90]. | C-F and C-H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales. |
[89]. | [Ir(PCy3)2(H)2(H2BNMe2)]+ as a Latent Source of Aminoborane: Probing the Role of Metal in the Dehydrocoupling of H3BNMe2H and Retrodimerisation of [H2BNMe2]2. |
[88]. | Computational Study of the Mechanism of Cyclic Acetal Formation via the Iridium(I)-Catalyzed Double Hydroalkoxylation of 4-Pentyn-1-ol with Methanol |
[87]. | Computational chemistry of molecular inorganic systems. |
[86]. | Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese. |
[85]. | Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands. |
[84]. | Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups. |
[83]. | 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. |
2010 |
[82]. | Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes. |
[81]. | Computational study of ethene hydroarylation at [Ir(κ2-OAc)(PMe3)Cp]. |
[80]. | 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? |
[79]. | Reactivity of the Latent 12-Electron Fragment [Rh(PiBu3)2]+ with Aryl Bromides: Aryl-Br and Phosphine Ligand C-H Activation. |
[78]. | Room-Temperature C-C Bond Cleavage of an Arene by a Metallacarborane. |
[77]. | Supraicosahedral indenyl cobaltacarboranes. |
[76]. | On the prebiotic potential of reduced oxidation state phosphorus: the H-phosphinate-pyruvate system. |
[75]. | A Highly Reactive Rhodium(I) Boryl Complex as a Useful Tool for C-H Bond Activation and Catalytic C-F Bond Borylation. |
[74]. | Metallophosphoranes: The Hidden Face of Transition Metal-Phosphine Complexes. |
[73]. | Synthetic, Structural and Computational Studies on Adducts of the 4,1,2-SnC2B10 Supraicosahedral Stannacarborane. |
[72]. | Selective Activation of the ortho C-F Bond in Pentafluoropyridine by Zerovalent Nickel: Reaction via a Metallophosphorane Intermediate Stabilized by Neighboring Group Assistance from the Pyridyl Nitrogen. |
2009 |
[71]. | The Influence of N-Heterocyclic Carbenes (NHC) on the Reactivity of [Ru(NHC)4H]+ with H2, N2, CO and O2. |
[70]. | Formation of [Ru(NHC)4(n2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2. |
[69]. | Computational and synthetic studies on the cyclometallation reaction of dimethylbenzylamine with [IrCl2Cp*]2: role of the chelating base. |
[68]. | Mechanisms of C-H bond activation: rich synergy between computation and experiment. |
[67]. | Activation of an Alkyl C-H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C-H Activation. |
[66]. | Fluxionality of [(Ph3P)3Rh(X)]: the Extreme Case of X = CF3. |
[65]. | Computational Study of the C- and N-bound Tautomers of [Ru(Cl)(H)(CO)(PPh3)2(IiPrMe2)] (IiPrMe2 = 3-iso-propyl-4, 5-dimethylimidazol-2-ylidene). |
[64]. | Adducts of the Supraicosahedral Stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; Synthetic, Structural and Computational Studies. |
[63]. | Alkyl Dehydrogenation in a Rh(I) Complex via an Isolated Agostic Intermediate. |
2008 |
[62]. | Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition. |
[61]. | Computational study of the Reaction of C6F6 with [IrMe(PEt3)3]: Identification of a Phosphine-Assisted C-F Activation Pathway via a Metallophosphorane Intermediate. |
[60]. | Unprecedented Steric Deformation of Ortho-Carborane. |
[59]. | Mechanisms of catalyst poisoning in palladium-catalyzed cyanation of haloarenes. Remarkably facile C-N bond activation in the [(Ph3P)4Pd]/[Bu4N]+ CN- system. |
[58]. | Computational studies of intramolecular carbon-heteroatom bond activation of N-aryl heterocyclic carbene ligands. |
[57]. | Computational study of C-C activation of 1,3-dimesitylimidazol-2-ylidene (IMes) at ruthenium: The role of ligand bulk in accessing reactive intermediates. |
[56]. | Intramolecular Alkyl Phosphine Dehydrogenation in Cationic Rhodium Complexes of Tris(cyclopentylphosphine). |
2007 |
[55]. | Model studies of beta-scission ring-opening reactions of cyclohexyloxy radicals: Application to thermal rearrangements of dispiro-1 2,4-trioxanes. |
[54]. | The Mechanism of Reduction and Metalation of para Carboranes: The Missing 13-Vertex MC2B10 Isomer. |
[53]. | Computational Studies on the Stabilities of trans-[Ir(OMe)(CO)(PPh3)2] and trans- [Ir(CH2Me)(CO)(PPh3)2] towards Β-H Elimination. |
[52]. | Symmetric and asymmetric 13-vertex bimetallacarboranes by polyhedral expansion. |
[51]. | The Conformations of 13-Vertex (L2M)C2B10 Metallacarboranes - Experimental and Computational Studies. |
[50]. | A Computational Study of the Methanolysis of Palladium-Acyl Bonds. |
[49]. | Mechanism of the [RhF(PPh3)3] to cis-[RhPh(PPh3)2(PFPh2)] Interconversion: P-C Activation and F/Ph Exchange via a Metallophosphorane Pathway. |
[48]. | Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes. |
[47]. | Transition metal-mediated P-C/X exchange at bound phosphine ligands (X = aryl, alkyl, NR2, OR and F): scope and mechanisms |
2006 |
[46]. | N-H versus C-H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study. |
[45]. | Mapping the pathway of heteroborane isomerisation: two parallel "1,2 → 1,7" isomerisations of a crowded molybdacarborane and the isolation of isomerisation intermediates. |
[44]. | Electrophilic C-H Activation at {Cp*Ir}: Ancillary-Ligand Control of the Mechanism of C-H Activation. |
[43]. | Photochemical Isomerization of N-Heterocyclic Carbene Ruthenium Hydride Complexes: In situ Photolysis, Parahydrogen, and Computational Studies. |
[42]. | Synthesis and Isomerisation of Two Metallated N,O-Complexes of Ruthenium: Models for the Murai Reaction. |
[41]. | H-X Bond Activation via Hydrogen Transfer to Hydride in Ruthenium N-Heterocyclic Carbene Complexes: Density Functional and Synthetic Studies. |
2005 |
[40]. | The F/Ph Rearrangement Reaction of [(Ph3P)3RhF], the Fluoride Congener of Wilkinson's Catalyst. |
[39]. | Computational Study of the Mechanism of Cyclometalation by Palladium Acetate. |
2004 |
[38]. | Ability of N-Heterocyclic Carbene Ligands to Promote Intermolecular Oxidative Addition Reactions at Unsaturated Ruthenium Centers. |
[37]. | The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12). |
[36]. | Theoretical study of the CO migratory insertion reactions of Pt(Me)(OMe)(dppe) and Ni(Me)(OR)(bpy) (R = Me, O-p-C6H4CN): Comparison of group 10 metal-alkyl, -alkoxide and aryloxide bonds. |
2003 |
[35]. | Beyond the icosahedron: The first 13-vertex carborane. |
[34]. | Theoretical studies on C-heteroatom bond formation via reductive elimination from group 10 M(PH3)2(CH3)(X) species (X = CH3, NH2, OH, SH) and the determination of metal-X bond strengths using density functional theory. |
[33]. | Insertion reactions of unsymmetrical ester-activated alkynes with o-benzylamine palladacycles: a regioselectivity study. |
[32]. | Supraicosahedral (metalla)carboranes. |
[31]. | Theoretical study of CO migratory insertion reactions with Group 10 metal-alkyl and -alkoxide bonds. |
[30]. | Structure, Reactivity, and Computational Studies of a Novel Ruthenium Hydrogen Sulfide Dihydride Complex. |
2002 |
[29]. | The First Supraicosahedral p-Block Metallacarboranes. |
[28]. | C-C and C-H Bond Activation Reactions in N-Heterocyclic Carbene Complexes of Ruthenium. |
[27]. | Theoretical studies on the insertions of unsymmetrical alkynes into the metal-carbon bond of phosphanickelacycles: Electronic factors. |
2001 |
[26]. | Insertions of Unsymmetrical Alkynes into the Metal-Carbon Bonds of Nickelacycles: What Determines the Regioselectivity? |
[25]. | Theoretical Study of the Oxidative Addition of Ammonia to Various Unsaturated Low-Valent Transition Metal Species. |
[24]. | Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4PPh2-2)(L)] (L = Tertiary Phosphine). |
2000 |
[23]. | An Unexpected Electronic Preference for Transfer of a β-Hydrogen trans to a Metal-Hydride Bond. |
[22]. | Theoretical Investigation of the Formation of Five-membered Metallacycles by Reaction of CO with Metallacyclobutenones: Differences Between Ni and Pt. |
1999-1995 |
[21]. | Theoretical Study of the Electronic Structure of Group 6 [M(CO)5X]- Species (X = NH2, OH, Halide, H, CH3) and a Reinvestigation of the Role of π-Donation in CO Lability. |
[20]. | Mapping the Unpaired Electron Density in [Pt(bipy)L2]- (bipy = 2,2'=bipyridine; L = Cl-, CN-, 13CN-): a Combined EPR/ENDOR/Theoretical Study. |
[19]. | Spectrochemical and Computational Studies of Tetrachloro- and Tetrabromo-oxo- and Nitrido-technetate(V) and their Tc(IV) Counterparts. |
[18]. | The Stabilization of High-oxidation States in Transition Metals, Part 2. WCl6 Oxidises [WF6]-, but would PtCl6 Oxidise [PtF6]-? An Electrochemical and Computational Study of 5d Transition Metal Halides: [MF6]z versus [MCl6]z (M = Ta to Pt; z = 0, 1-, 2-). |
[17]. | A Theoretical Study of M(PH3)4 (M = Ru, Fe), Models for the Highly Reactive d8 Intermediates M(dmpe)2 (M = Ru, Fe). Zero Activation Energies for Addition of CO and Oxidative Addition of H2. |
[16]. | Is π-Donation the Only Way? Unprecedented Unsaturated Ru(II) Species Devoid of π-Donor Ligands. |
[15]. | A Density Functional Study on the Excited States of [M2Cl9]3- (M = Mo, W). Consequences for Structural Variation in A3M2Cl9 Systems. |
[14]. | Characterization and Reactivity of an Unprecedented Unsaturated, Zerovalent Ruthenium Species: Isolable, yet Highly Reactive. |
[13]. | The Stabilization of High-oxidation States in Transition Metals. An Electrochemical and Computational Study of Structurally Comparable Molybdenum and Tungsten Complexes. |
[12]. | Optimized Structures of Bimetallic Systems:A Comparison of Full- and Broken-Symmetry Density Functional Calculations. |
[11]. | Isolable, Unsaturated Ru(0) in Ru(CO)2(PtBu2Me)2: Not Isostructural with Rh(I) in Rh(CO)2(PR3)2+. |
1994-1990 |
[9]. | Why Nickel(II) Binds CO Best in Trigonal Bipyramidal and Square Pyramidal Geometries and Possible Consequences for CO Dehydrogenase. |
[8]. | Why is δ-Me Elimination Only Observed in d0 Early Transition Metal Complexes? An Organometallic Hyperconjugation Effect with Consequences for the Termination Step in Ziegler-Natta Catalysis. |
[7]. | 5-(n-p-Cymene)-6-ethoxy-5-ruthena-nido-decaborane(12). |
[6]. | When is a Vertex not a Vertex? An Analysis of the Structures of [M(B10H12)] Metallaboranes. |
[5]. | Tricarbonyl[(1,2,3,4-?-2,3-dimethylbutadiene]cobalt Acetonitriletrichloroferrate(1-). |
[4]. | Structure of [PhCH2NMe3]2[(B10H12)2Pd]. |
[3]. | Structure of [PhCH2NMe3]2[(B10H12)2Pt]. |
[2]. | Structure of Benzyltrimethylammonium 7,7,7-Tricarbonyldodecahydro-7-cobalta-nido undecaborate(1-). |
[1]. | The Spectroelectrochemical Study of [Ru2Cl8py]n- (n = 1,2,3; py = pyridine): a Series of Complexes with Two Accessible Mixed-valence States. |
Book Chapters |
[9]. | Computational Studies of Heteroatom-Assisted C-H Activation at Ru, Rh, Ir and Pd as a Basis for Heterocycle Synthesis and Derivatization. |
[8]. | Computational Studies on Heteroatom-Assisted C-H Activation and Functionalization at Group 8 and 9 Metal Centres. |
[7]. | Modelling and Rationalizing Organometallic Chemistry with Computation: Where are we? |
[6]. | Mechanistic Studies of C-X Bond Activation at Transition-Metal Centers. |
[5]. | Computational Studies on the Reactivity of Transition Metal Complexes Featuring N-Heterocyclic Carbene Ligands. |
[4]. | Theoretical Organometallic Chemistry. |
[3]. | Theoretical Organometallic Chemistry. |
[2]. | Theoretical Organometallic Chemistry. |
[1]. | Spectroelectrochemical (UV/VIS/Near IR, EPR) Studies of Coordination Compounds. |
Heriot-Watt University, Institute of Chemical Sciences, Edinburgh, Scotland, UK EH14 4AS