Mechanochemical synthesis, characterization and reactivity of a room-temperature stable calcium electride, A. Bowles, J. Quirk, Y. Liu, G. Morritt, M. Freitag, G. Whitehead, A. Woodward, A. Brookfield, C. Goodwin, D. Collison, F. Tuna, C. L. McMullin, E. Lu, F. Ortu, Research Square, 2024, pre-print.
DOI: 10.21203/rs.3.rs-4655560/v1
Pathway to a Molecular Calcium Methyl, K. G. Pearce, S. E. Neale, C. L. McMullin, M. F. Mahon, M. S. Hill, Chem. Commun., 2024, online.
DOI: 10.1039/d4cc02930e
Alkali Metal Reduction of Crown Ether Encapsulated Alkali Metal Cations, K. G. Pearce, S. E. Neale, M. F. Mahon, C. L. McMullin, M. S. Hill, Chem. Commun., 2024, online.
DOI: 10.1039/D4CC02725F
Mixing and matching N,N- and N,O-chelates in anionic Mg(I) compounds: synthesis and reactivity
with RN=C=NR and CO, A. O'Reilly, M. D. Haynes, Z. R. Turner, C. L. McMullin, S. Harder, D. O'Hare, J. R. Fulton, M. P. Coles, Chem. Commun., 2024, 60, 7204-7207.
DOI: 10.1039/d4cc02594f
The Borylamino-diborata-allyl Anion, H. T. W. Shere, H.-Y. Liu, S. E. Neale, M. S. Hill, M. F. Mahon, C. L. McMullin, Chem. Sci., 2024, 15, 7999-8007.
DOI: 10.1039/D4SC01953A
[{SiNDipp}MgNa]2: a Potent Molecular Reducing Agent, H.-Y. Liu, S. E. Neale, M. S. Hill, M. F. Mahon, C. L. McMullin, E. Richards, Organometallics, 2024, 8, 879-888.
DOI: 10.1021/acs.organomet.4c00076
Twinned versus Linked Organometallics - Bimetallic "Half-Baguette" Pentalenide Complexes of Rh(I), H. J Sanderson, G. Kociok-Köhn, C. L. McMullin, U. Hintermair, Dalton Trans., 2024, 53, 5881-5899.
DOI: 10.1039/D3DT04325H
Stabilisation of the [SiH6]2– Anion within a Supramolecular Assembly, R. Huo, A. J. Armstrong, G. R. Nelmes, D. J. Lawes, A. J. Edwards, C. L. McMullin, J. Hicks, Chem. Eur. J., 2024, e202400662.
DOI: 10.1002/chem.202400662
Aluminyl derived ethene functionalization with heteroallenes, leading to an intramolecular ligand rearrangement, A. O'Reilly, M. G. Gardiner, C. L. McMullin, J. R. Fulton, M. P. Coles, Chem. Commun., 2024, 60, 881.
DOI: 10.1039/D3CC05785B
Alkali Metal Reduction of Alkali Metal Cations, K. G. Pearce, H.-Y. Liu, S. E. Neale, H. M. Goff, M. F. Mahon, C. L. McMullin, M. S. Hill, Nature Comm., 2023, 14, 8147.
DOI: 10.1038/s41467-023-43925-5
Reductive Coupling of a Diazoalkane Derivative Promoted by a Potassium Aluminyl and Elimination of Dinitrogen to Generate a Reactive Aluminium Ketimide, M. J. Evans, M. D. Anker, C. L. McMullin, M. P. Coles, Chem. Eur. J., 2023, 29, e202302903.
DOI: 10.1002/chem.202302903 selected as a Hot Paper.
A Computational Study into the Mechanism of B–B Bond Cleavage in a Magnesium(II) Diboranate Complex, C. L. McMullin, S. E. Neale, G. L. Young, Eur. J. Inorg. Chem., 2023, 27, e20230039.
DOI: 10.1002/ejic.202300393
Complexes Containing Discrete In–Pn bonds (Pn = Pnictide, Sb / Bi), M. D. Anker, A. O'Reilly, C. L. McMullin, M. P. Coles, Polyhedron, 2023, 246, 116695.
DOI: 10.1016/j.poly.2023.116695
Pinacol Cross-Coupling Promoted by an Aluminyl Anion, A. O'Reilly, M. J. Evans, C. L. McMullin, J. R. Fulton, M. P. Coles, Chem. Eur. J., 2023, 30, e202302999.
DOI: 10.1002/chem.202302999
Seven-membered Cyclic Diamidoalumanyls of the Heavier Alkali Metals: Structures and C-H activation of Arenes, M. S. Hill, H.-Y. D. Liu, M. F. Mahon, C. L. McMullin, R. Schwamm, Organometallics, 2023, 42, 2881-2892.
DOI: 10.1021/acs.organomet.3c00323
Reactions of a P-N Stabilised Aluminium Dihydride with Ruthenium Hydride Complexes, A.-F. Pecharman, R. L. Falconer, E. Owen, M. J. Cowley, J. P. Lowe, C. L. McMullin, M. F. Mahon, M. K. Whittlesey, Polyhedron, 2023, 243, 116531.
DOI: 10.1016/j.poly.2023.116531
A Blueprint for the Stabilisation of Sub-valent Alkaline Earth Complexes, A. Bowles, Y. Liu, M. Stevens, I. Vitorica-Yrezabal, C. L. McMullin, F. Ortu, Chem. Eur. J., 2023, 29, e202301850.
DOI: 10.1002/chem.202301850
Controlled Reductive C-C Coupling of Isocyanides Promoted by an Aluminyl Anion, M. J. Evans, M. D. Anker, M. P. Coles, C. L. McMullin, Chem. Sci., 2023, 14, 6278-6288.
DOI: 10.1039/D3SC01387A
Li vs Na: Divergent Reaction Patterns between Organolithium and Organosodium Complexes and Ligand-Catalyzed Ketone/Aldehyde Methylenation, N. Davison, C. L. McMullin, L. Zhang, S.-X. Hu, P. G. Waddell, C. Willis, C. Dixon, E. Lu, J. Am. Chem. Soc., 2023, 145, 6562-6576.
DOI: 10.1021/jacs.3c01033
Cooperative Dihydrogen Activation at a Na(I)2/Mg(I)2 Ensemble, M. S. Hill, H.-Y. Liu, S. E. Neale, M. F. Mahon, C. L. McMullin, B. L. Morrison, Chem. Commun., 2023, 59, 3846-3849.
DOI: 10.1039/D3CC00710C
On the Barton Copper-Catalyzed C3-Arylation of Indoles using Triarylbismuth bis(trifluoroacetate) Reagents, A. Fnaiche, B. Bueno, C. L. McMullin, A. Gagnon, ChemPlusChem, 2023, e202200465.
DOI: 10.1002/cplu.202200465 - article selected for cover, check out the cover profile here.
Structural Snapshots of an Al–Cu Bond-Mediated Transformation of Terminal Acetylenes, H.-Y. Liu, S. E. Neale, M. S. Hill, M. F. Mahon, C. L. McMullin, Chem. Sci., 2023, 14, 2866-2876.
DOI: 10.1039/D3SC00240C
Lithium, Tin(II), and Zinc Amino-Boryloxy Complexes: Synthesis and Characterization, A. J. Straiton, C. L. McMullin, G. Kociok-Köhn, C. L. Lyall, J. D. Parish, A. L. Johnson, Inorg. Chem., 2023, 62, 2576-2591.
DOI: 10.1021/acs.inorgchem.2c03108
Synthesis and Reactivity of Calcium Diborane(6) and Diboranate Derivatives, M. S. Hill, H. T. W. Shere, S. E. Neale, M. F. Mahon, A. S. S. Wilson, C. L. McMullin, ZAAC, 2023, e202200376.
DOI: 10.1002/zaac.202200376
Selective hydroboration of electron-rich isocyanates by an NHC-copper(I) alkoxide, L. E. English, T. M. Horsley Downie, C. L. Lyall, M. F. Mahon, C. L. McMullin, S. E. Neale, C. M. Saunders, D. J. Liptrot, Chem. Commun., 2023, 59, 1074-1077.
DOI: 10.1039/D2CC04742J
Reduction of Na+ within a {Mg2Na2} Assembly, H.-Y. Liu, S. E. Neale, M. S. Hill, M. F. Mahon, C. L. McMullin, E. Richards, Angew. Chem., 2023, 62, e2022136.
DOI: 10.1002/anie.202213670
A room-temperature stable electride and its reactivity: reductive benzene/pyridine couplings and solvent-free Birch reductions, N. Davison, J. A. Quirk, F. Tuna. D. Collison, C. L. McMullin, H. Michaels, G. H. Morritt, P. G. Waddell, J. A. Gould, M. Freitag, J. A. Dawson, E. Lu, Chemistry, 2022, 9, 576-591. Selected for the "Best of Chem 2023" collection.DOI: 10.1016/j.chempr.2022.11.006
Structure and Reactivity of [Ru-Al] and [Ru-Sn] Heterobimetallic PPh3-Based Complexes, C. Issac, F. Miloserdov, A-F. Pecharman, J. Lowe, C. L. McMullin, M. K. Whittlesey, Organometallics, 2022, 41, 2716-2730.
DOI: 10.1021/acs.organomet.2c00344
Diverse Reactivity of a Magnesium Silanide toward Ketones, M. S. Hill, B. Okokhere-Edeghoghon, M. F. Mahon, C. L. McMullin, Chem. Commun., 2022, 58, 10711-10714.
DOI: 10.1039/D2CC03966D
Isolating elusive 'Al(μ-O)M' intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg), M. J. Evans, G. Iliffe, S. E. Neale, C. L. McMullin, J. R. Fulton, M. D. Anker, M. P. Coles, Chem. Commun., 2022, 58, 10091-10094.
DOI: 10.1039/D2CC04028J
White Phosphorus Reduction and Oligomerization by a Potassium Diamidoalumanyl, M. S. Hill, M. F. Mahon, S. E. Neale, K. G. Pearce, R. J. Schwamm, C. L. McMullin, Z.A.A.C., 2022, e202200224.
DOI: 10.1002/zaac.202200224
Carbon-Chalcogen Bond Formation Initiated by [Al(NONDipp)(E)]- Anions Containing Al-E (E = S, Se) Multiple Bonds, M. J. Evans, M. D. Anker, C. L. McMullin, S. E. Neale, N. A. Rajabi, M. P. Coles, Chem. Sci., 2022, 13, 4635-4646.
DOI: 10.1039/d2sc01064j
A Terphenyl Supported Dioxophosphorane Dimer: the Light Congener of Lawesson's and Wollins' Reagents, L. E. English, A. Pajak, C. L. McMullin, J. P. Lowe, M. F. Mahon, D. J. Liptrot, Chem. Eur. J., 2022, e202200376.
DOI: 10.1002/chem.202200376
Potassium Aluminyl Promoted Carbonylation of Ethene, M. J. Evans, S. E. Neale, M. D. Anker, C. L. McMullin, M. P. Coles, Angew. Chem. Int. Ed., 2022, e202117396.
DOI: 10.1002/anie.202117396
On the reactivity of Al-group 11 (Cu, Ag, Au) bonds, H.-Y. Liu, S. E. Neale, M. S. Hill, M. F. Mahon, C. L. McMullin, Dalton Trans., 2022, 51, 3913-3924.
DOI: 10.1039/D2DT00404F
Rubidium and caesium aluminyls: synthesis, structures and reactivity in C–H bond activation of benzene, T. X. Gentner, M. J. Evans, A. R. Kennedy, S. E. Neale, C. L. McMullin, M. P. Coles, R. E. Mulvey, Chem. Commun., 2022, 58, 1390-1393.
DOI: 10.1039/d1cc05379e
Isocyanate Deoxygenation by a Molecular Magnesium Silanide, B. Okokhere-Edeghoghon, S. E. Neale, M. S. Hill, M. F. Mahon, C. L. McMullin, Dalton Trans., 2022, 51, 136-144.
DOI: 10.1039/D1DT03775G
Controlling Al−M Interactions in Group 1 Metal Aluminyls (M = Li, Na, and K). Facile Conversion of Dimers to Monomeric and Separated Ion Pairs, M. J. Evans, M. D. Anker, M. G. Gardiner, C. L. McMullin, M. P. Coles, Inorg. Chem., 2021, 60, 18423-18431.
DOI: 10.1021/acs.inorgchem.1c03012
Reductive Dimerization of CO by a Na/Mg(I) Diamide, H.-Y. Liu, R. J. Schwamm, S. E. Neale, M. S. Hill, C. L. McMullin, M. F. Mahon, J. Am. Chem. Soc., 2021, 143, 17851-17856.
DOI: 10.1021/jacs.1c09467
Dihydrogen Activation by Lithium- and Sodium-Aluminyls, M. J. Evans, M. D. Anker, C. L. McMullin, S. E. Neale, M. P. Coles, Angew. Chem. Int. Ed., 2021, 60, 22289-22292.
DOI: 10.1002/anie.202108934
Seven-membered Cyclic Potassium Diamidoalumanyls, M. S. Hill, R. J. Schwamm, H.-Y. Liu, M. F. Mahon, C. L. McMullin, N. A. Rajabi, Chem. Eur. J., 2021, 27, 14971-14980.
DOI: 10.1002/chem.202102682
Ambiphilic Al–Cu Bonding, M. S. Hill, H.-Y. Liu, R. J. Schwamm, C. L. McMullin, M. F. Mahon, N. A. Rajabi, Angew. Chem. Int. Ed., 2021, 60, 14390-14393.
DOI: 10.1002/anie.202104658
DFT Calculations Bring Insight to Internal Alkyne-to-Vinylidene Transformations at Rhodium PNP- and PONOP-Pincer Complexes, N. A. Rajabi, C. L. McMullin, RSC Adv., 2021, 11, 11793-11803.
DOI: 10.1039/d0ra08764e
Double insertion of CO2 into an Al–Te multiple bond, M. J. Evans, M. D. Anker, C. L. McMullin, N. A. Rajabi, M. P. Coles, Chem. Commun., 2021, 57, 2673-2676.
DOI: 10.1039/D0CC07448A
Phosphinoborane interception at magnesium by borane-assisted phosphine-borane dehydrogenation, L. J. Morris, N. A. Rajabi, M. S. Hill, I. Manners, C. L. McMullin, M. F. Mahon, Dalton Trans., 2020, 49, 14584-14591.
DOI: 10.1039/D0DT03415K
The First Ring-Expanded NHC-Copper(I) Phosphides as Catalysts in the Highly Selective Hydrophosphination of Isocyanates, T. M. Horsley Downie, J. W. Hall, T. P. Collier Finn, D. J. Liptrot, J. P Lowe, M. F. Mahon, C. L. McMullin, M. K. Whittlesey, Chem. Commun., 2020, 56, 13359-13362.
DOI: 10.1039/D0CC05694D
Nucleophilic Magnesium Silanide and Sila-amidinate Derivatives, B. Okokhere-Edeghoghon, M. Dehmel, M. S. Hill, R. Kretschmer, M. F. Mahon, C. L. McMullin, L. J. Morris, N. A. Rajabi, Inorg. Chem., 2020, 59, 13679-13689.
DOI: 10.1021/acs.inorgchem.0c02034
Synthesis and reactivity of alkaline-earth stannanide complexes by hydride-mediated distannane metathesis and organostannane dehydrogenation, L. J. Morris, N. A. Rajabi, M. F. Mahon, I. Manners, C. L. McMullin, M. S. Hill, Dalton Trans., 2020, 49, 10523-10534.
DOI: 10.1039/d0dt02406f
[BO2]- as a Synthon for the Generation of Boron-centred Carbamate and Carboxylate Isostere, A.-F. Pécharman, M. S. Hill, C. L. McMullin, M. F. Mahon, Angew. Chem. Int. Ed., 2020, 32, 13628-13632.
DOI: 10.1002/anie.202005674
New Carbon-Carbon Bond Forming Reactions Promoted by Aluminyl and Alumoxane Anions: Introducing the Ethenetetraolate Ligand, M. D. Anker, C. L. McMullin, N. A. Rajabi, M. P. Coles, Angew. Chem. Int. Ed., 2020, 59, 12806-12810.
DOI: 10.1002/anie.202005301
A stable Calcium Alumanyl, R. J. Schwamm, M. P. Coles, M. S. Hill, M. F. Mahon, C. L. McMullin, N. A. Rajabi, A. S. S. Wilson, Angew. Chem. Int. Ed., 2020, 59, 3928-3932.
DOI: 10.1002/anie.201914986
Reductive Dehydrocoupling of Diphenyltin Dihydride with LiAlH4: Selective Synthesis and Structures of the First Bicyclo[2.2.1]heptastannane-1,4-diide and Bicyclo[2.2.2]octastannane-1,4-diide, B. G. Steller, R. C. Fischer, M. Flock, M. S. Hill, D. J. Liptrot, C. L. McMullin, N. A. Rajabi, K. Tieflinga, A. S. S. Wilson, Chem. Commun., 2020, 56, 336-339.
DOI: 10.1039/C9CC07976A
Copper Catalyzed sp3 C-H α-Acetylation, O. E. Okoromoba, E. S. Jang, C. L. McMullin, T. R. Cundari, T. H. Warren, ChemRxiv, 2019, online.
ChemRxiv: chemrxiv.org/s/bc877e4cf0d159355162
Azulene-Derived Fluorescent Probe for Bioimaging: Detection of Reactive Oxygen and Nitrogen Species by Two-Photon Microscopy, L. C. Murfin, M. Weber, S. J. Park, W. T. Kim, C. M. Lopez-Alled, C. L. McMullin, F. Pradaux-Caggiano, C. L. Lyall, G. Kociok-Kohn, J. Wenk, S. D. Bull, J. Yoon, H. M Kim, T. D. James, S. E. Lewis, J. Am. Chem. Soc., 2019, 141, 19389-19396.
DOI: 10.1021/jacs.9b09813
Calcium Stannyl Formation by Organostannane Dehydrogenation, L. J. Morris, M. S. Hill, I. Manners, C. L. McMullin, M. F. Mahon, N. A. Rajabi, Chem. Commun., 2019, 55, 12964-12967.
DOI: 10.1039/C9CC07289F
Oxygen Atom Transfer and P(V) Reduction by Heterolytic Diborane Activation, A.-F. Pécharman, N. A. Rajabi, M. S. Hill, C. L. McMullin, M. F. Mahon, Chem. Commun., 2019, 55, 9035-9038.
DOI: 10.1039/C9CC04294F
A Computational Study on the Identity of the Active Catalyst Structure for Ru(II) Carboxylate Assisted C—H Activation in Acetonitrile, C. L. McMullin, N. A. Rajabi, J. S. Hammerton, Org. Biomol. Chem., 2019, 17, 6678-6686.
DOI: 10.1039/C9OB01092K
Understanding Electronic Effects on Carboxylate-Assisted C-H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control, R. A. Alharis, C. L. McMullin, D. L. Davies, K. Singh, S. A. Macgregor, Faraday Discuss., 2019, 220, 386-403.
DOI: 10.1039/C9FD00063A
Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process, A.-F. Pécharman, M. S. Hill, G. McMullon, C. L. McMullin, M. F. Mahon, Chem. Sci., 2019, 10, 6672-6682.
DOI: 10.1039/C9SC02087J
The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboyxlate-Assisted C-H Activation, R. A. Alharis, C. L. McMullin, D. L. Davies, K. Singh, S. A. Macgregor, J. Am. Chem. Soc., 2019, 141, 8896-8906.
DOI: 10.1021/jacs.9b02073
Azulenes with aryl substituents bearing pentafluorosulfanyl groups: Synthesis, spectroscopic and halochromic properties, S. J. Webster, C. M. López-Alled,
X. Liang, C. L. McMullin, G. Kociok Köhn, C. L. Lyall, T. D. James, J. Wenk, P. J. Cameron, S. E.
Lewis, New J. Chem., 2019, 43, 992-1000.
DOI: 10.1039/C8NH05520C
Magnesium-Mediated Nucleophilic Borylation of Carbonyl Electrophiles, A.-F. Pécharman, M. S. Hill, C. L. McMullin, M. F. Mahon, Organometallics, 2018, 37, 23, 4457-4464.
DOI: 10.1021/acs.organomet.8b00408
Azulene–boronate esters: colorimetric indicators for fluoride in drinking water, C. M. Lopez-Alled, A. Sanchez-Fernandez, K. J. Edler, A. C. Sedgwick, S. D. Bull, C. L. McMullin, G. Kociok-Kohn, T. D. James, J. Wenkae, S. E. Lewis, Chem. Comm., 2017, 53, 12580-12583.
DOI: 10.1039/c7cc07416f
Magnesium Boryl Reactivity with 9-BBN and Ph3B: Rational B-B' Bond Formation and Diborane Isomerization, A.-F. Pécharman, M. S. Hill, C. L. McMullin, M. F. Mahon, Angew. Chem. Int. Ed., 2017, 56, 16363-16366.
DOI: 10.1002/anie.201709902
Ruthenium-Catalyzed para-Selective C-H Alkylation of Aniline Derivatives, J. A. Leitch, C. L. McMullin, A. J. Paterson, M. F. Mahon, Y. Bhonoah, C. G. Frost, Angew. Chem. Int. Ed., 2017, 56, 15131-15135.
DOI: 10.1002/anie.201708961
α-halo Carbonyls Enable meta Selective Primary, Secondary, Tertiary C-H Alkylations by Ruthenium Catalysis, A. J. Patterson, C. J. Heron, C. L. McMullin, M. F. Mahon, N. J. Press, C. G. Frost, Org. Biomol. Chem., 2017, 15, 5993-6000. Selected as one of 2017's Hot Advance Articles in Organic and Biomolecular Chemistry.
DOI: 10.1039/C7OB01192J
Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centers, D. L. Davies, S. A. Macgregor, C. L. McMullin, Chem. Rev., 2017, 117 (13), 8649-8709. This article is part of the CH Activation special issue.
DOI: 10.1021/acs.chemrev.6b00839
Large, weakly-basic, bis(carboranyl)phosphines: An experimental and computational study, L. E. Riley, T. Kraemer, C. L. McMullin, D. Ellis, G. M. Rosair, I. B. Sivaev, A. J. Welch, Dalton Trans., 2017, 46, 5218-5228.
DOI: 10.1039/C7DT00485K
Remote C-6 Selective Ruthenium-Catalyzed C-H Alkylation of Indole Derivatives via σ-Activation, J. Leitch, C. L. McMullin, M. F. Mahon, Y. Bhonoah, C. G. Frost, ACS Catal., 2017, 7, 2616-2636.
DOI: 10.1021/acscatal.7b00038
Easy Access to Nucleophilic Boron through Diborane to Magnesium Boryl Metathesis, A.-F. Pecharman, A. L. Colebatch, M. S. Hill, C. L. McMullin, M. F. Mahon, C. Weetman, Nature Comm., 2017, 8, 15022.
DOI: 10.1038/NCOMMS15022
Ruthenium(II) Catalyzed C-H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group: Experimental and Computational Insights, J. A. Leitch, P. B. Wilson, C. L. McMullin, M. F. Mahon, Y. Bhonoah, I. H. Williams, C. G. Frost, ACS Catal., 2016, 6, 5520-5529.
DOI: 10.1021/acscatal.6b01370
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, D. L. Davies, C. E. Ellul, S. A. Macregor, C. L. McMullin, K. Singh, J. Am. Chem. Soc., 2015, 137, 9659-9669.
DOI: 10.1021/jacs.5b04858
Combined Experimental and Computational Investigations of Rhodium-Catalysed C-H Functionalisation of Pyrazoles with Alkenes, A. G. Algarra, D. L. Davies, Q. Khamker, S. A. Macgregor, C. L. McMullin, K. Singh, B. Villa-Marcos, Chem. Eur. J., 2015, 21, 3087-3096.
DOI: 10.1002/chem.201405550
Computed Ligand Effects on the Oxidative Addition of Phenyl Halides to Phosphine Supported Palladium(0) Catalysts, C. L. McMullin, N. Fey, J. N. Harvey, Dalton Trans., 2014, 43, 13545-13556.
DOI: 10.1039/C4DT01758G
Copper(II) Anilides in sp3 C-H Amination, E. S. Jang, C. L. McMullin, M. Käß, K. Meyer, T. R. Cundari, T. H. Warren, J. Am. Chem. Soc., 2014, 136, 10930-10940.
DOI: 10.1021/ja5026547
Cobalt PCP Pincer Complexes via an Unexpected Sequence of Ortho Metalations, M. A. Kent, C. H. Woodall, M. F. Haddow, C. L. McMullin, P. G. Pringle, D. F. Wass, Organometallics, 2014, 33, 5686-5692.
DOI: 10.1021/om500079j
Combined Experimental and Computational Investigations of Rhodium- and Ruthenium-Catalyzed C-H Functionalization of Pyrazoles with Alkynes, A. G. Algarra, W. B Cross, D. L. Davies, Q. Khamker, S. A. Macgregor, C. L. McMullin, K. Singh, J. Org. Chem., 2014, 79, 1954-1970.
DOI: 10.1021/jo402592z
The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process, F. M. Miloserdov, C. L. McMullin, M. M. Belmonte, J. Benet-Buchholz, V. I. Bakhmutov, S. A. Macgregor, V. V. Grushin, Organometallics, 2014, 33, 736-752.
DOI: 10.1021/om401126m
Unexpectedly High Barriers to M-P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate with tBu2PR, J. M. Lister, M. Carreira, M. F. Haddow, A. Hamilton, C. L. McMullin, A. G. Orpen, P. G. Pringle, T. E. Stennett, Organometallics, 2014, 33, 702-714.
DOI: 10.1021/om400980e
Correlations of the Structural Properties of a Complete R2PX Series (X = Hydrogen or Halogen), J. P. Hopewell, C. L. McMullin, P. G. Pringle, T. A. Shuttleworth, C. H. Woodall, Eur. J. Inorg. Chem., 2014, 10, 1843-1849.
DOI: 10.1002/ejic.201301483
Dehydrogenative Boron Homocoupling of an Amine-Borane,
H. C. Johnson, C. L. McMullin, S. D. Pike, S. A. Macgregor, A. S. Weller,
Angew. Chem. Int. Ed., 2013, 52, 9776-9780.
DOI: 10.1002/anie.201304382
N,N-Diphospholylamines - A New Family of Ligands for Highly Active, Chromium-Based, Selective Ethene Oligomerisation Catalysts,
T. E. Stennett, T. W. Hey, L. T. Ball, S. R. Flynn, J. E. Radcliffe, C. L. McMullin, R. L. Wingad, D. F. Wass,
ChemCatChem, 2013, 5, 2946-2954.
DOI: 10.1002/cctc.201300306
Complete Methane-to-Methanol Catalytic Cycle: A DFT Study of Oxygen Atom Transfer from N2O to Late-row (M = Ni, Cu, Zn) β-Diketiminate C-H Activation Catalysts,
C. L. McMullin, A. W. Pierpont, T. R. Cundari,
Polyhedron, 2013, 52, 945-956.
DOI: 10.1016/j.poly.2012.07.019
Reaction of CuI with Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification,
R. T. Gephart III, C. L. McMullin, N. G. Sapiezynski, E. S. Jang, M. J. B. Aguila, T. R. Cundari, T. H. Warren,
J. Am. Chem. Soc., 2012, 134 (42), 17350-17353.
DOI: 10.1021/ja3053688
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, PMe3, P(pyr)3, or P(OCH2)3CEt),
E. E. Joslin, C. L. McMullin, T. B. Gunnoe, T. R. Cundari, Michal Sabat, W. H. Myers,
Organometallics, 2012, 31 (19), 6851-6860.
DOI: 10.1021/om300676e
C-H functionalization Reactivity of a Nickel-imide,
S. Wiese, J. L. McAfee, D. R. Pahls, C. L. McMullin, T. R. Cundari, T. H. Warren,
J. Am. Chem. Soc., 2012, 134 (24), 10114-10121.
DOI: 10.1021/ja302149k
Coordination Chemistry of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes,
E. E. Joslin, T. B. Gunnoe, M. Sabat, C. L. McMullin, T. R. Cundari, W. H. Myers,
Inorg. Chem., 2012, 51 (8), 4791-4801.
DOI: 10.1021/ic300109b
Stable Fluorophosphines: Predicted and Realized Ligands for Catalysis,
N. Fey, M. Garland, J. P. Hopewell, C. L. McMullin, S. Mastroianni, A. G. Orpen, P. G. Pringle,
Angew. Chem. Int. Ed., 2012, 51, 118-122.
DOI: 10.1002/anie.201105954
Organometallic reactivity: the role of metal–ligand bond energies from a computational perspective,
N. Fey, B. M. Ridgway, J. Jover, C. L. McMullin, J. N. Harvey,
Dalton Trans., 2011, 40, 11184-11191.
DOI: 10.1039/C1DT10909J
Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C–H activation and catalysis,
R. B. Bedford, Y.-N. Chang, M. F. Haddow, C. L. McMullin,
Dalton Trans., 2011, 40, 9042-9050.
DOI: 10.1039/C1DT10357A
Tuning ligand structure in chiral bis(phosphite) and mixed phosphite–phosphinite PCP-palladium pincer complexes,
R. B. Bedford, Y.-N. Chang, M. F. Haddow, C. L. McMullin,
Dalton Trans., 2011, 40, 9034-9041.
DOI: 10.1039/C1DT10356C
Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies,
D. L. Dodds, J. Floure, M. Garland, M. F. Haddow, T. R. Leonard, C. L. McMullin, A. G. Orpen, P. G. Pringle,
Dalton Trans., 2011, 40, 7137-7146.
DOI: 10.1039/C1DT10335K
Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction,
R. Chotima, T. Dale, M. Green, T. W. Hey, C. L. McMullin, A. Nunns, A. G. Orpen, I. V. Shishkov, D. F. Wass, R. L. Wingad,
Dalton Trans., 2011, 40, 5316-5323.
DOI: 10.1039/C1DT10109A
Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile,
I. S. Mikhel, M. Garland, J. Hopewell, S. Mastroianni, C. L. McMullin, A. G. Orpen, and P. G. Pringle,
Organometallics, 2011, 30 (5), 974-985.
DOI: 10.1021/om101023e
N,N'-Bis(diphenylphosphino)diaminophenylphosphine Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions,
A. Dulai, C. L. McMullin, K. Tenza, and D. F. Wass,
Organometallics, 2011, 30 (5), 935-941.
DOI: 10.1021/om100912y
Accurate modelling of Pd(0) + PhX oxidative addition kinetics,
C. L. McMullin, J. Jover, J. N. Harvey, N. Fey,
Dalton Trans., 2010, 39, 10833-10836.
DOI: 10.1039/C0DT00778A
Is Restricted M-P Bond Rotation A Common Feature of Enantioselective Monophos Catalysts? An Example of Restricted Rh-P Bond Rotation in a Secondary Phosphine Complex,
P. Jankowski, C. L. McMullin, I. D. Gridnev, A. G. Orpen, P. G. Pringle,
Tetrahedron: Asymmetry, 2010, 21, 1206-1209.
DOI: 10.1016/j.tetasy.2010.06.005
Computational Study of PtBu3 as Ligand in the Palladium-Catalysed Amination of Phenylbromide with Morpholine,
C. L. McMullin, B. Ruehle, M. Besora Bonet, N. Fey, A. G. Orpen, J. N. Harvey,
J. Mol. Cat. A, 2010, 324, 48-55.
DOI: 10.1016/j.molcata.2010.02.030
Further Advances in Chromium Diphosphine Trimerization Catalysis,
L. E. Bowen, M. Charernsuk, T. W. Hey, C. L. McMullin, A. G. Orpen, D. F. Wass,
Dalton Trans., 2010, 560-567.
DOI: 10.1039/b913302j
Subtlety in asymmetric catalyst structure: the resolution of a weakly chiral phospha-adamantane and its applications in asymmetric hydrogenation catalysis,
J. Hopewell, P. Jankowski, C. L. McMullin, A. G. Orpen, P. G. Pringle,
Chem. Commun., 2010, 46, 100-102.
DOI: 10.1039/b916359j
A Ligand Knowledge Base for Carbenes (LKB-C): Maps of Ligand Space,
N. Fey, M. F. Haddow, J. N. Harvey, C. L. McMullin, A. G. Orpen,
Dalton Trans., 2009, 8183-8196.
DOI: 10.1039/b909229c
Rhodium Complexes of Cyclopropenylidene Carbene Ligands: Synthesis, Structure, and Hydroformylation Catalysis,
M. Green, C. L. McMullin, G. J. P. Morton, A. G. Orpen, D. F. Wass, R. L. Wingad,
Organometallics, 2009, 28 (5), 1476-1479.
DOI: 10.1021/om801031a
Computational Studies of Heteroatom-Assisted C-H Activation at Ru, Rh, Ir and Pd as a Basis for Heterocycle Synthesis and Derivatization K. J. T. Carr, S. A. Macgregor and C. L. McMullin,
in Transition-metal catalysed heterocycle synthesis via C-H activation, p.1-44. Wiley-VCH. ISBN: 978-3-527-33888-7
Computational Studies on Heteroatom-Assisted C-H Activation and Functionalization at Group 8 and 9 Metal Centres K. J. T. Carr, S. A. Macgregor and C. L. McMullin,
in Topics in Organometallic Chemistry, p.1-24. Springer. DOI: 10.1007/3418_2015_125
Modelling and Rationalizing Organometallic Chemistry with Computation: Where are we? L. Perrin, K. J. T. Carr, D. MacKay, C. L. McMullin, S. A. Macgregor and O. Eisenstein, in Structure and Bonding, p.1-37. Springer. DOI: 10.1007/2F430_2015_176