Select Publications
Journal articles
, 2007, 'Iron-carbon clusters: Geometric structures and interconversions', Polyhedron, 26, pp. 250 - 265
, 2007, 'The mechanistically significant coordination chemistry of dinitrogen at FeMo-co, the catalytic site of nitrogenase', Journal of the American Chemical Society, 129, pp. 1076 - 1088, http://dx.doi.org/10.1021/ja0644428
, 2006, 'An NMR study of Solvent Interactions in a Paramagnetic System', Bulletin of the Korean Chemical Society, 27, pp. 1752 - 1756
, 2006, 'cis-[PtBr2{PPh2(4-catechol))}(2)]: synthesis, crystal structure, and computational modelling of its binding to nanocrystalline TiO2', Journal of the Royal Chemical Society, Dalton Transactions, pp. 680 - 685
, 2006, 'Crystals of isomeric tritolylamines: embrace motifs in crystals, and their thermochemical properties', CrystEngComm, 8, pp. 59 - 65
, 2006, 'Mechanistic significance of the preparatory migration of hydrogen atoms around the FeMo-co active site of nitrogenase', Biochemistry, 45, pp. 6328 - 6340, http://dx.doi.org/10.1021/bi052217h
, 2006, 'The correlation of redox potential, HOMO energy, and oxidation state in metal sulfide clusters and its application to determine the redox level of the FeMo-co active-site cluster of nitrogenase', Inorganic Chemistry, 45, pp. 5084 - 5091
, 2005, 'A synthetic, structural, and Cd-113 NMR study of cadmium complexes of 1,3-thiazolidine-2-thionate, including the structures of Cd(C3H4NS2)(2), (Cd(C3H4NS2)(2)(C5H5N)(3)center dot C5H5N, and (Ph4P)(2)[I2Cd(mu-C3H4NS2)(2)CdI2]', Canadian Journal of Chemistry - Revue Canadienne de Chimie, 83, pp. 174 - 184
, 2005, 'Engineering grids of metal complexes: development of the 2D M( terpy)(2) embrace motif in crystals', CrystEngComm, 7, pp. 216 - 229
, 2005, 'Engineering the metal-terpy grid with complexes containing 4 `-hydroxy terpyridine', CrystEngComm, 7, pp. 230 - 236
, 2005, 'Intermolecular embraces and intermolecular energies', Molecular Crystals and Liquid Crystals, 440, pp. 265 - 293
, 2005, 'The crystallisation of polyoxo-molybdate and -tungstate anions with phenylated phosphonium and arsonium cations, in relation to the crystal packing and species in solution', CrystEngComm, 7, pp. 491 - 503
, 2005, 'The hydrogen chemistry of the FeMo-co active site of nitrogenase', Journal of the American Chemical Society, 127, pp. 10925 - 10942
, 2004, 'A variable Ag-Cr-oxalate channel lattice:[MxAg0.5-x(H2O)(3)](@)[Ag2.5Cr(C2O4)(3)], M = K, Cs, Ag', Inorganic Chemistry, 43, pp. 443 - 449
, 2004, 'Crystal packing in tetraphenylphosphonium salts of trithiocyanuric acidand its methanol solvate', CrystEngComm, 6(88), pp. 543 - 548
, 2004, 'Localization of a catalytic intermediate bound to the FeMo-cofactor ofnitrogenase', The Journal of Biological Chemistry, 279, pp. 34770 - 34775
, 2004, 'Questions for crystal engineering of halocuprate complexes: conceptsfor a difficult system', CrystEngComm, 6(46), pp. 257 - 275
, 2004, 'Substrate interactions with nitrogenase: Fe versus Mo', Biochemistry, 43, pp. 1401 - 1409
, 2004, 'The mechanism of nitrogenase. Computed details of the site and geometryof binding of alkyne and alkene substrates and intermediates', Journal of the American Chemical Society, 126, pp. 11852 - 11863
, 2003, 'Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc', CrystEngComm, 5, pp. 305 - 309
, 2003, 'Distance criteria for crystal packing analysis of supramolecular motifs.', New Journal of Chemistry, 27, pp. 22 - 27
, 2003, 'Inorganic intermolecular motifs, and their energies.', CrystEngComm, 5, pp. 208 - 221
, 2003, 'Nanoclusters of phenylphosphonium cations and cyanoferrate anions in the gas phase, and the principles of association of these ions in crystals.', Journal of the Royal Chemical Society, Dalton Transactions, -, pp. 1520 - 1528
, 2003, 'Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2-', CrystEngComm, %, pp. 285 - 293
, 2003, 'Tetraphenylarsonium iodide, a new determination', ACTA Crystallographica Section C - Crystal Structure Communications, C59, pp. 484 - 486
, 2003, 'The consequences of an interstitial N atom in the FeMo cofactor of nitrogenase.', Chemical Communications, -, pp. 324 - 325
, 2003, 'The Subtle Tetramorphism of MePh3P+ I3-', New Journal of Chemistry, 27, pp. 704 - 713
, 2003, 'What is supramolecular?', New Journal of Chemistry, 27, pp. 1 - 2
, 2002, 'A Cucurbituril-Based Gyroscane: A New Supramolecular Form', Angewandte Chemie, 114, pp. 285 - 287, http://dx.doi.org/10.1002/1521-3757(20020118)114:2<285::aid-ange285>3.0.co;2-6
, 2002, 'A cucurbituril-based gyroscane: a new supramolecular form.', Angewandte Chemie (International Edition), 41, pp. 275 - 277
, 2002, 'A highly symmetric lattice of tightly packed supramolecular interactions of [Fe(phen)3]2+ with [HgI3]?, [ClHgI3]2?, and Cl?.', CrystEngComm, 41, pp. 149 - 154
, 2002, 'Crystal engineering of hydroxy group hydrogen bonding: Design and synthesis of new diol lattice inclusion hosts', Journal of Organic Chemistry, 67, pp. 3221 - 3230, http://dx.doi.org/10.1021/jo010787r
, 2002, 'Crystal packing interpretation of the association of chiral threefold propellor ions: TRISPHAT anion with a triarylcarbenium cation', CrystEngComm, 4, pp. 165 - 170
, 2002, 'Dimorphic intramolecular and intermolecular aryl motifs in symmetrical hexafaceted molecules (ArnX)3Y?(Z)?Y(XArn)3.', Chemistry - a European Journal, 8, pp. 5456 - 5468
, 2002, 'Dimorphs of (Ph4P)2[Cd2(SPh)6]: crystal packing analyses, and the interplay of intermolecular and intramolecular energies', Crystal Growth and Design, 2, pp. 601 - 607
, 2002, 'Metal Cyanide Ions Mx(CN)y]+,- in the Gas Phase: M = Fe, Co, Ni, Zn, Cd, Hg, Fe + Ag, Co + Ag', Inorganic Chemistry, 41, pp. 3560 - 3569
, 2002, 'Supramolecular motifs in four pseudo-polymorphic crystals of [Fe(phen)3](I3)2 (solvent): solvent = acetone, CH2Cl2, CH3CN, toluene or H2O.', CrystEngComm, 4, pp. 7 - 12
, 2002, 'The generation of gaseous [CoxOy]− clusters and their reactions with alcohols: formation of homoleptic cobalt alkoxides [Co4(OR)8]−', International Journal of Mass Spectrometry, 216, pp. 155 - 168
, 2002, 'The Structure of Gas Phase Tin Oxide Ions Generated by Laser Ablation: A Combined Fourier Transform Mass Spectrometry and Density Functional Theory Study', Journal of Cluster Science, 13, pp. 165 - 187
, 2002, 'Three-coordinate [Cu(II)X3]? (X = Cl, Br), trapped in a molecular crystal', Chemistry - a European Journal, 8, pp. 1269 - 1278
, 2002, 'Title of Article: The crystal packing of [Cd(C4H8N2S)4](BPh4)2?2MeCN, and Cd(C4H8N2S)4](CF3SO3)2. Tetraphenylborate forming an aryl box.', CrystEngComm, 4, pp. 46 - 50
, 2002, 'Towards rational syntheses of the elusive metallocarbohedrenes: density functional prescriptions for electronic and geometric structures', Chemistry - a European Journal, 80, pp. 3497 - 3511
, 2001, 'A diamondoid supramolecular crystal lattice maintained entirely by sixfold phenyl embraces', CrystEngComm, 12, pp. 1 - 4
, 2001, 'Analyses of the crystal packing of (Ph3P)2Ag(O2C2O2)Ag(PPh3)2 and related heavily phenylated molecules: substitutional trimorphism', CrystEngComm, pp. 1 - 7
, 2001, 'Bis (tetraphenylphonium) tris (oxal-ato-O,O`) germanate (IV)', ACTA Crystallographica Section C - Crystal Structure Communications, pp. 1030 - 1031
, 2001, 'ChemInform Abstract: The Formation, Reactions and Structures of Binary Cobalt Phosphide Clusters [CoxPy]‐ in the Gas Phase.', ChemInform, 32, http://dx.doi.org/10.1002/chin.200118002
, 2001, 'Contrasting crystal supramolecularity for [Fe(phen)3]I8 and [Mn(phen)3]I8: complementary orthogonality and complementary helicity', CrystEngComm, 1, pp. 1 - 8
, 2001, 'Contrasting crystal supramolecularity for [Fe(phen)3]I8 and [Mn(phen)3]I8: complementary orthogonality and complementary helicity', CrystEngComm, 3, pp. 1 - 1, http://dx.doi.org/10.1039/b008381j
, 2001, 'Coordination and Dehydrogenation of PH3 by 23 Transition Metal Ions in the Gas Phase: FTICR Experiments and Density Functional Interpretations', Inorganic Chemistry, pp. 6972 - 6982
, 2001, 'Crystal packing motifs for mixed oxalate/phenanthroline metal complexes.', CrystEngComm, pp. 1 - 11