Claire L McMullin, PhD - Publications

Chemistry University of Bristol, Bristol, England, United Kingdom 
structural inorganic chemistry, computational chemistry

50 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Sanderson HJ, Kociok-Köhn G, McMullin CL, Hintermair U. Twinned linked organometallics - bimetallic "half-baguette" pentalenide complexes of Rh(I). Dalton Transactions (Cambridge, England : 2003). PMID 38446046 DOI: 10.1039/d3dt04325h  0.379
2023 Davison N, McMullin CL, Zhang L, Hu SX, Waddell PG, Wills C, Dixon C, Lu E. Li vs Na: Divergent Reaction Patterns between Organolithium and Organosodium Complexes and Ligand-Catalyzed Ketone/Aldehyde Methylenation. Journal of the American Chemical Society. PMID 36890641 DOI: 10.1021/jacs.3c01033  0.311
2023 Straiton AJ, McMullin CL, Kociok-Köhn G, Lyall CL, Parish JD, Johnson AL. Lithium, Tin(II), and Zinc Amino-Boryloxy Complexes: Synthesis and Characterization. Inorganic Chemistry. PMID 36708353 DOI: 10.1021/acs.inorgchem.2c03108  0.352
2021 Rajabi NA, McMullin CL. DFT calculations bring insight to internal alkyne-to-vinylidene transformations at rhodium PNP- and PONOP-pincer complexes. Rsc Advances. 11: 11793-11803. PMID 35423772 DOI: 10.1039/d0ra08764e  0.321
2020 Okokhere-Edeghoghon B, Dehmel M, Hill MS, Kretschmer R, Mahon MF, McMullin CL, Morris LJ, Rajabi NA. Nucleophilic Magnesium Silanide and Silaamidinate Derivatives. Inorganic Chemistry. PMID 32886501 DOI: 10.1021/Acs.Inorgchem.0C02034  0.424
2020 Morris LJ, Rajabi NA, Mahon MF, Manners I, McMullin CL, Hill MS. Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation. Dalton Transactions (Cambridge, England : 2003). PMID 32691789 DOI: 10.1039/D0Dt02406F  0.338
2020 Anker MD, McMullin C, Rajabi NA, Coles MP. New Carbon-Carbon Bond Forming Reactions Promoted by Aluminyl and Alumoxane Anions: Introducing the Ethenetetraolate Ligand. Angewandte Chemie (International Ed. in English). PMID 32378311 DOI: 10.1002/Anie.202005301  0.302
2019 Alharis RA, McMullin CL, Davies DL, Singh K, Macgregor SA. Understanding electronic effects on carboxylate-assisted C-H activation at ruthenium: the importance of kinetic and thermodynamic control. Faraday Discussions. PMID 31528900 DOI: 10.1039/C9Fd00063A  0.39
2019 Pécharman AF, Hill MS, McMullon G, McMullin CL, Mahon MF. Snapshots of magnesium-centred diborane heterolysis by an outer sphere S2 process. Chemical Science. 10: 6672-6682. PMID 31367321 DOI: 10.1039/C9Sc02087J  0.36
2019 Pécharman AF, Rajabi NA, Hill MS, McMullin CL, Mahon MF. Diborane heterolysis and P(v) reduction by PhP[double bond, length as m-dash]O coordination to magnesium. Chemical Communications (Cambridge, England). PMID 31292569 DOI: 10.1039/C9Cc04294F  0.346
2019 McMullin CL, Rajabi NA, Hammerton JS. A computational study on the identity of the active catalyst structure for Ru(ii) carboxylate assisted C-H activation in acetonitrile. Organic & Biomolecular Chemistry. PMID 31237301 DOI: 10.1039/C9Ob01092K  0.453
2019 Alharis RA, McMullin CL, Davies DL, Singh K, Macgregor SA. The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation. Journal of the American Chemical Society. PMID 31083891 DOI: 10.1021/Jacs.9B02073  0.39
2018 Pécharman A, Hill MS, McMullin CL, Mahon MF. Magnesium-Mediated Nucleophilic Borylation of Carbonyl Electrophiles Organometallics. 37: 4457-4464. DOI: 10.1021/Acs.Organomet.8B00408  0.333
2017 Frost C, Leitch J, McMullin C, Paterson A, Mahon M, Bhonoah Y. Ruthenium-Catalyzed para-Selective C-H Alkylation of Aniline Derivatives. Angewandte Chemie (International Ed. in English). PMID 28968000 DOI: 10.1002/Anie.201708961  0.365
2017 Paterson AJ, Heron CJ, McMullin CL, Mahon MF, Press NJ, Frost CG. α-Halo carbonyls enable meta selective primary, secondary and tertiary C-H alkylations by ruthenium catalysis. Organic & Biomolecular Chemistry. PMID 28678298 DOI: 10.1039/C7Ob01192J  0.363
2017 Davies DL, Macgregor SA, McMullin CL. Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centers. Chemical Reviews. PMID 28530807 DOI: 10.1021/Acs.Chemrev.6B00839  0.337
2017 Pécharman AF, Colebatch AL, Hill MS, McMullin CL, Mahon MF, Weetman C. Easy access to nucleophilic boron through diborane to magnesium boryl metathesis. Nature Communications. 8: 15022. PMID 28387308 DOI: 10.1038/Ncomms15022  0.353
2017 Riley LE, Krämer T, McMullin CL, Ellis D, Rosair GM, Sivaev IB, Welch AJ. Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study. Dalton Transactions (Cambridge, England : 2003). PMID 28378864 DOI: 10.1039/C7Dt00485K  0.393
2017 Leitch JA, McMullin CL, Mahon MF, Bhonoah Y, Frost CG. Remote C6-Selective Ruthenium-Catalyzed C–H Alkylation of Indole Derivatives via σ-Activation Acs Catalysis. 7: 2616-2623. DOI: 10.1021/Acscatal.7B00038  0.323
2016 Leitch J, Wilson PB, McMullin CL, Mahon MF, Bhonoah Y, Williams IH, Frost CG. Ruthenium(II) Catalyzed C-H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group: Experimental and Computational Insights Acs Catalysis. 6: 5520-5529. DOI: 10.1021/Acscatal.6B01370  0.377
2015 Davies DL, Ellul CE, Macgregor SA, McMullin CL, Singh K. Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalysed Formation of Neutral and Cationic Heterocycles. Journal of the American Chemical Society. PMID 26115418 DOI: 10.1021/Jacs.5B04858  0.334
2015 Algarra AG, Davies DL, Khamker Q, Macgregor SA, McMullin CL, Singh K, Villa-Marcos B. Combined experimental and computational investigations of rhodium-catalysed C - H functionalisation of pyrazoles with alkenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 3087-96. PMID 25521823 DOI: 10.1002/Chem.201405550  0.38
2014 McMullin CL, Fey N, Harvey JN. Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts. Dalton Transactions (Cambridge, England : 2003). 43: 13545-56. PMID 25091386 DOI: 10.1039/C4Dt01758G  0.787
2014 Jang ES, McMullin CL, Käß M, Meyer K, Cundari TR, Warren TH. Copper(II) anilides in sp³ C-H amination. Journal of the American Chemical Society. 136: 10930-40. PMID 24940616 DOI: 10.1021/Ja5026547  0.302
2014 Algarra AG, Cross WB, Davies DL, Khamker Q, Macgregor SA, McMullin CL, Singh K. Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-H functionalization of pyrazoles with alkynes. The Journal of Organic Chemistry. 79: 1954-70. PMID 24564771 DOI: 10.1021/Jo402592Z  0.36
2014 Kent MA, Woodall CH, Haddow MF, McMullin CL, Pringle PG, Wass DF. Cobalt PCP pincer complexes via an unexpected sequence of ortho metalations Organometallics. 33: 5686-5692. DOI: 10.1021/Om500079J  0.406
2014 Miloserdov FM, McMullin CL, Belmonte MM, Benet-Buchholz J, Bakhmutov VI, Macgregor SA, Grushin VV. The challenge of palladium-catalyzed aromatic azidocarbonylation: From mechanistic and catalyst deactivation studies to a highly efficient process Organometallics. 33: 736-752. DOI: 10.1021/Om401126M  0.39
2014 Lister JM, Carreira M, Haddow MF, Hamilton A, McMullin CL, Orpen AG, Pringle PG, Stennett TE. Unexpectedly high barriers to M-P rotation in tertiary phobane complexes: Phobpr behavior that is commensurate with tBu2PR Organometallics. 33: 702-714. DOI: 10.1021/Om400980E  0.57
2013 Johnson HC, McMullin CL, Pike SD, Macgregor SA, Weller AS. Dehydrogenative boron homocoupling of an amine-borane. Angewandte Chemie (International Ed. in English). 52: 9776-80. PMID 23873710 DOI: 10.1002/Anie.201304382  0.323
2013 McMullin CL, Pierpont AW, Cundari TR. Complete methane-to-methanol catalytic cycle: A DFT study of oxygen atom transfer from N2O to late-row (MNi, Cu, Zn) β-diketiminate CH activation catalysts Polyhedron. 52: 945-956. DOI: 10.1016/J.Poly.2012.07.019  0.328
2013 Stennett TE, Hey TW, Ball LT, Flynn SR, Radcliffe JE, Mcmullin CL, Wingad RL, Wass DF. N,N-Diphospholylamines-A new family of ligands for highly active, chromium-based, selective ethene oligomerisation catalysts Chemcatchem. 5: 2946-2954. DOI: 10.1002/Cctc.201300306  0.435
2012 Wiese S, McAfee JL, Pahls DR, McMullin CL, Cundari TR, Warren TH. C-H functionalization reactivity of a nickel-imide. Journal of the American Chemical Society. 134: 10114-21. PMID 22616768 DOI: 10.1021/Ja302149K  0.301
2012 Joslin EE, McMullin CL, Gunnoe TB, Cundari TR, Sabat M, Myers WH. Coordination chemistry of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: preparation and characterization of Ru(II) complexes. Inorganic Chemistry. 51: 4791-801. PMID 22452567 DOI: 10.1021/Ic300109B  0.386
2012 Fey N, Garland M, Hopewell JP, McMullin CL, Mastroianni S, Orpen AG, Pringle PG. Stable fluorophosphines: predicted and realized ligands for catalysis. Angewandte Chemie (International Ed. in English). 51: 118-22. PMID 22076744 DOI: 10.1002/Anie.201105954  0.754
2012 Joslin EE, McMullin CL, Gunnoe TB, Cundari TR, Sabat M, Myers WH. Catalytic hydroarylation of ethylene using TpRu(L)(NCMe)Ph (L = 2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane): Comparison to TpRu(L′)(NCMe) Ph systems (L′ = CO, PMe 3, P(pyr) 3, or P(OCH 2) 3CEt) Organometallics. 31: 6851-6860. DOI: 10.1021/Om300676E  0.327
2011 Fey N, Ridgway BM, Jover J, McMullin CL, Harvey JN. Organometallic reactivity: the role of metal-ligand bond energies from a computational perspective. Dalton Transactions (Cambridge, England : 2003). 40: 11184-91. PMID 21853190 DOI: 10.1039/C1Dt10909J  0.74
2011 Bedford RB, Chang YN, Haddow MF, McMullin CL. Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis. Dalton Transactions (Cambridge, England : 2003). 40: 9042-50. PMID 21818491 DOI: 10.1039/C1Dt10357A  0.489
2011 Bedford RB, Chang YN, Haddow MF, McMullin CL. Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes. Dalton Transactions (Cambridge, England : 2003). 40: 9034-41. PMID 21818490 DOI: 10.1039/C1Dt10356C  0.501
2011 Dodds DL, Floure J, Garland M, Haddow MF, Leonard TR, McMullin CL, Orpen AG, Pringle PG. Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies. Dalton Transactions (Cambridge, England : 2003). 40: 7137-46. PMID 21643610 DOI: 10.1039/C1Dt10335K  0.573
2011 Chotima R, Dale T, Green M, Hey TW, McMullin CL, Nunns A, Orpen AG, Shishkov IV, Wass DF, Wingad RL. Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction. Dalton Transactions (Cambridge, England : 2003). 40: 5316-23. PMID 21475742 DOI: 10.1039/C1Dt10109A  0.645
2011 Mikhel IS, Garland M, Hopewell J, Mastroianni S, McMullin CL, Orpen AG, Pringle PG. Cage phosphinites: Ligands for efficient nickel-catalyzed hydrocyanation of 3-pentenenitrile Organometallics. 30: 974-985. DOI: 10.1021/Om101023E  0.616
2011 Dulai A, McMullin CL, Tenza K, Wass DF. N, N′-bis(diphenylphosphino)diaminophenylphosphine ligands for chromium-catalyzed selective ethylene oligomerization reactions Organometallics. 30: 935-941. DOI: 10.1021/Om100912Y  0.354
2010 McMullin CL, Jover J, Harvey JN, Fey N. Accurate modelling of Pd(0) + PhX oxidative addition kinetics. Dalton Transactions (Cambridge, England : 2003). 39: 10833-6. PMID 20963224 DOI: 10.1039/C0Dt00778A  0.714
2010 Hopewell J, Jankowski P, McMullin CL, Orpen AG, Pringle PG. Subtleties in asymmetric catalyst structure: the resolution of a 6-phospha-2,4,8-trioxa-adamantane and its applications in asymmetric hydrogenation catalysis. Chemical Communications (Cambridge, England). 46: 100-2. PMID 20024306 DOI: 10.1039/B916359J  0.617
2010 Bowen LE, Charernsuk M, Hey TW, McMullin CL, Orpen AG, Wass DF. Ligand effects in chromium diphosphine catalysed olefin co-trimerisation and diene trimerisation. Dalton Transactions (Cambridge, England : 2003). 560-7. PMID 20023994 DOI: 10.1039/B913302J  0.594
2010 Jankowski P, McMullin CL, Gridnev ID, Orpen AG, Pringle PG. Is restricted M-P rotation a common feature of enantioselective monophos catalysts? An example of restricted Rh-P rotation in a secondary phosphine complex Tetrahedron Asymmetry. 21: 1206-1209. DOI: 10.1016/J.Tetasy.2010.06.005  0.603
2010 McMullin CL, Rühle B, Besora M, Orpen AG, Harvey JN, Fey N. Computational study of PtBu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine Journal of Molecular Catalysis a: Chemical. 324: 48-55. DOI: 10.1016/J.Molcata.2010.02.030  0.773
2009 Fey N, Haddow MF, Harvey JN, McMullin CL, Orpen AG. A ligand knowledge base for carbenes (LKB-C): maps of ligand space. Dalton Transactions (Cambridge, England : 2003). 8183-96. PMID 19789771 DOI: 10.1039/B909229C  0.755
2009 McMullin CL, Fey N, Orpen AG. Conformational analysis of bidentate tetra-aryl diphosphines Acta Crystallographica Section a Foundations of Crystallography. 65: s307-s308. DOI: 10.1107/S0108767309093453  0.724
2009 Green M, McMullin CL, Morton GJP, Orpen AG, Wass DF, Wingad RL. Rhodium complexes of cyclopropenylidene carbene ligands: Synthesis, structure, and hydroformylation catalysis Organometallics. 28: 1476-1479. DOI: 10.1021/Om801031A  0.641
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