Publications

(108)       Liu, X., Bull, C.L., Kleppe, A.K., Dowding, P.J., and Pulham, C.R. (2019) Temperature-induced polymorphism in methyl stearate, CrystEngComm, DOI: 10.1039/C9CE00393B

(107)       Kennedy, S.R., Main, M.U., Pulham, C.R., Ling, I., and Dalgarno, S.J. (2019) A self-assembled nanotube supported by halogen bonding interactions, CrystEngComm, 21, 786-790       

(106)      Liu, X., Michalchuk, A.A.L., Pulham, C.R., and Boldyreva, E.V  (2019) An aceto­nitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam mol­ecules3, Acta Cryst. C., C75, 29-37     

(105)       Michalchuk, A.A.L., Rudic, S., Pulham, C.R., and Morrison, C.A  (2018) Vibrationally induced metallisation of the energetic azide α-NaN3PhysChemChemPhys, 20, 29061-29069 

(104)       Liu, X., Gibbs, A.S., Nichol, G.S., Tang, C.C., Knight, K.S., Dowding, P.J., More, I. and Pulham, C.R. (2018) Temperature-induced polymorphism in methyl stearate, CrystEngComm, 20, 6885-6893 

(103)       Michalchuk, A.A.L., Fincham, P.T., Portius, P., Pulham, C.R., and Morrison, C.A  (2018) A Pathway to the Athermal Impact Initiation of Energetic Azides, J. Phys. Chem. C, 122(34),19395

(102)       Raza, S.A., Schacht, U., Svoboda, V., Edwards, D.P., Florence, A.J., Pulham, C.R., Sefci, J., and Oswald I.D.H. (2018) Rapid Continuous Antisolvent Crystallization of Multicomponent Systems, Cryst. Growth Des., 18(1),210

(101)       Campbell, R., Konar, S., Hunter, Pulham, C. R., Portius, P. (2018) Labile Low-Valent Tin Azides: Syntheses, Structural Characterization, and Thermal Properties, Inorganic Chemistry, 57(1),400

(100)       Kennedy, S.R. and Pulham, C.R. (2018) Co-crystallization of Energetic Materials in Monographs in Supramolecular Chemistry, pp 231-266

(99)       Michalchuk, A.A.L., Hope, K.S., Kennedy, S.R., Blanco, M.V., Boldyreva, E.V and Pulham, C.R. Ball-free mechanochemistry: in situ real-time monitoring of pharmaceutical co-crystal formation by resonant acoustic mixing. Chem. Commun. 2018.

(98)       Raza, S.A, Shacht, U., Svoboda, V., Edwards, D.P., Florence, A.J., Pulham, C.R., Sefcik, J. and Oswald, I.H.D. Rapid continuous antisolvent crystallisation of multicomponent systems. Cryst. Growth Des.. 2018.

(97)       Bull, C.L., Funnell, N.P., Pulham, C.R., Marshall, W.G. and Allan, D.R. A new high-pressure polymorph of phosphoric acid. Acta Cryst. B. 2017.

(96)       Szilagyi, P.A., Hunter, S., Morrison, C.A., Tang, C.C. and Pulham, C.R. Pressure-induced structural changes in Methylamine borane and dimethylamine borane. J. Alloys and Compounds. 2017.

(95)       Connor, L.E, Morrison, C.A., Oswald, I.A, Pulham, C.R. and Warren, M.R. Carbon dioxide binary crystals via the thermal decomposition of RDX at high pressure. Chem. Sci. 2017.

(94)       Michalchuk, A.A.L, Tumanov, I.A., Konar, S., Kimber, S.A.J., Pulham, C.R., Boldyreva, E.V. Challenges of Mechanochemistry: Is In Situ Real-Time Quantitative Phase Analysis Always Reliable? A Case Study of Organic Salt Formation. Adv. Sci. 2017.

(93)       Szilagyi, P.A., Hunter, S., Morrison, C.A., Tang, C.C., Pulham, C.R. Pressure-induced structural changes in Methylamine borane and dimethylamine borane. J. Alloys & Comp. 2017, 722, 953-961.

(92)       Connnor, L.E., Morrison, C.A., Oswald, I.D.H., Pulham, C.R., Warren, M.R. Carbon dioxide binary crystals via the thermal decomposition of RDX at thigh pressure. Chem. Sci. 2017, 8, 4872-4878.

(91)       Rychkov, D. A.; Hunter, S.; Kovalskii, V. Y.; Lomzov, A. A.; Pulham, C. R.; Boldyreva, E. V. Towards an Understanding of Crystallization from Solution. DFT Studies of Multi-Component Serotonin Crystals. Comput. Theor. Chem. 2016, 1088, 52–61.

(90)       Hunter, S.; Coster, P. L.; Davidson, A. J.; Millar, D. I. A.; Parker, S. F.; Marshall, W. G.; Smith, R. I.; Morrison, C. A.; Pulham, C. R. High-Pressure Experimental and DFT-D Structural Studies of the Energetic Material FOX-7. J. Phys. Chem. C 2015, 119 (5), 2322–2334.

(89)       McGregor, L.; Rychkov, D. A.; Coster, P. L.; Day, S.; Drebushchak, V. A.; Achkasov, A. F.; Nichol, G. S.; Pulham, C. R.; Boldyreva, E. V. A New Polymorph of Metacetamol. Crystengcomm 2015, 17 (32), 6183–6192.

(88)       Bruce-Smith, I. F.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.; Pulham, C. R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-Ray Diffraction and DFT Studies. J. Phys. Chem. C 2014, 118 (42), 24705–24713.

(87)       Fabbiani, F. P. A.; Pulham, C. R.; Warren, J. E. A High-Pressure Polymorph of Propionamide from in Situ High-Pressure Crystallisation from Solution. Z. Krist. 2014, 229 (9), 667–675.

(86)       Millar, D. I. A.; Barry, C.; Marshall, W. G.; Pulham, C. R. Structural Characterization of Sodium Azide and Sodium Bifluoride at High Pressures. Z. Krist. 2014, 229 (3), 259–275.

(85)       Hunter, S.; Sutinen, T.; Parker, S. F.; Morrison, C. A.; Williamson, D. M.; Thompson, S.; Gould, P. J.; Pulham, C. R. Experimental and DFT-D Studies of the Molecular Organic Energetic Material RDX. J. Phys. Chem. C 2013, 117 (16), 8062–8071.

(84)       Jones, A. O. F.; Lemee-Cailleau, M.-H.; Martins, D. M. S.; McIntyre, G. J.; Oswald, I. D. H.; Pulham, C. R.; Spanswick, C. K.; Thomas, L. H.; Wilson, C. C. Temperature Dependent Solid-State Proton Migration in Dimethylurea-Oxalic Acid Complexes. Phys. Chem. Chem. Phys. 2012, 14 (38), 13273–13283.

(83)       Millar, D. I. A.; Maynard-Casely, H. E.; Allan, D. R.; Cumming, A. S.; Lennie, A. R.; Mackay, A. J.; Oswald, I. D. H.; Tang, C. C.; Pulham, C. R. Crystal Engineering of Energetic Materials: Co-Crystals of CL-20. Crystengcomm 2012, 14 (10), 3742–3749.

(82)     Hunter, S.; Davidson, A. J.; Morrison, C. A.; Pulham, C. R.; Richardson, P.; Farrow, M. J.; Marshall, W. G.; Lennie, A. R.; Gould, P. J. Combined Experimental and Computational Hydrostatic Compression Study of Crystalline Ammonium Perchlorate. J. Phys. Chem. C 2011, 115 (38), 18782–18788.

(81)     Millar, D. I. A.; Oswald, I. D. H.; Barry, C.; Francis, D. J.; Marshall, W. G.; Pulham, C. R.; Cumming, A. S. Pressure-Cooking of Explosives-the Crystal Structure of Epsilon-RDX as Determined by X-Ray and Neutron Diffraction. Chem. Commun. 2010, 46 (31), 5662–5664.

(80)     Millar, D. I. A.; Marshall, W. G.; Oswald, I. D. H.; Pulham, C. R. High-Pressure Structural Studies of Energetic Materials. Crystallogr. Rev. 2010, 16 (2), 115–132.

(79)     Millar, D. I. A.; Maynard-Casely, H. E.; Kleppe, A. K.; Marshall, W. G.; Pulham, C. R.; Cumming, A. S. Putting the Squeeze on Energetic Materials-Structural Characterisation of a High-Pressure Phase of CL-20. Crystengcomm 2010, 12 (9), 2524–2527.

(78)     Oswald, I. D. H.; Lennie, A. R.; Pulham, C. R.; Shankland, K. High-Pressure Structural Studies of the Pharmaceutical, Chlorothiazide. Crystengcomm 2010, 12 (9), 2533–2540.

(77)     Allan, D. R.; Marshall, W. G.; Francis, D. J.; Oswald, I. D. H.; Pulham, C. R.; Spanswick, C. The Crystal Structures of the Low-Temperature and High-Pressure Polymorphs of Nitric Acid. Dalton Trans. 2010, 39 (15), 3736–3743.

(76)     Downs, A. J.; Greene, T. M.; Johnsen, E.; Pulham, C. R.; Robertson, H. E.; Wann, D. A. The Digallane Molecule, Ga2H6: Experimental Update Giving an Improved Structure and Estimate of the Enthalpy Change for the Reaction Ga2H6(g) -> 2GaH(3)(g). Dalton Trans. 2010, 39 (24), 5637–5642.

(75)     Martins, D. M. S.; Spanswick, C. K.; Middlemiss, D. S.; Abbas, N.; Pulham, C. R.; Morrison, C. A. A New Polymorph of N,N ’-Dimethylurea Characterized by X-Ray Diffraction and First-Principles Lattice Dynamics Calculations. J. Phys. Chem. A 2009, 113 (20), 5998–6003.

(74)     Martins, D. M. S.; Middlemiss, D. S.; Pulham, C. R.; Wilson, C. C.; Weller, M. T.; Henry, P. F.; Shankland, N.; Shankland, K.; Marshall, W. G.; Ibberson, R. M.; Knight, K.; Moggach, S.; Brunelli, M.; Morrison, C. A. Temperature- and Pressure-Induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4 ’-Bipyridine. J. Am. Chem. Soc. 2009, 131 (11), 3884–3893.

(73)     Millar, D. I. A.; Oswald, I. D. H.; Francis, D. J.; Marshall, W. G.; Pulham, C. R.; Cumming, A. S. The Crystal Structure of Beta-RDX-an Elusive Form of an Explosive Revealed. Chem. Commun. 2009, No. 5, 562–564.

(72)     Oswald, I. D. H.; Chataigner, I.; Elphick, S.; Fabbiani, F. P. A.; Lennie, A. R.; Maddaluno, J.; Marshall, W. G.; Prior, T. J.; Pulham, C. R.; Smith, R. I. Putting Pressure on Elusive Polymorphs and Solvates. Crystengcomm 2009, 11 (2), 359–366.

(71)     Oswald, I. D. H.; Hamilton, A.; Hall, C.; Marshall, W. G.; Prior, T. J.; Pulham, C. R. In Situ Characterization of Elusive Salt Hydrates-The Crystal Structures of the Heptahydrate and Octahydrate of Sodium Sulfate. J. Am. Chem. Soc. 2008, 130 (52), 17795–17800.

(70)     Espallargas, G. M.; Brammer, L.; Allan, D. R.; Pulham, C. R.; Robertson, N.; Warren, J. E. Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-chloropyridinium)(2)[CoX4] (X = CI, Br). J. Am. Chem. Soc. 2008, 130 (28), 9058–9071.

(69)     Maley, I. J.; Brown, D. H.; Ibberson, R. M.; Pulham, C. R. Solid-State Structures of the Covalent Hydrides Germane and Stannane. Acta Crystallogr. Sect. B-Struct. Sci. 2008, 64, 312–317.

(68)     Santini, A.; Pulham, C. R.; Rajab, A.; Ibbetson, R. The Effect of a 10% Carbamide Peroxide Bleaching Agent on the Phosphate Concentration of Tooth Enamel Assessed by Raman Spectroscopy. Dent. Traumatol. 2008, 24 (2), 220–223.

(67)     Davidson, A. J.; Oswald, I. D. H.; Francis, D. J.; Lennie, A. R.; Marshall, W. G.; Millar, D. I. A.; Pulham, C. R.; Warren, J. E.; Cumming, A. S. Explosives under Pressure - the Crystal Structure of Gamma-RDX as Determined by High-Pressure X-Ray and Neutron Diffraction. Crystengcomm 2008, 10 (2), 162–165.

(66)     Ibberson, R. M.; Marshall, W. G.; Budd, L. E.; Parsons, S.; Pulham, C. R.; Spanswick, C. K. Alloxan - a New Low-Temperature Phase Determined by Neutron Powder Diffraction. Crystengcomm 2008, 10 (5), 465–468.

(65)     Oswald, I. D. H.; Pulham, C. R. Co-Crystallisation at High Pressure - an Additional Tool for the Preparation and Study of Co-Crystals. Crystengcomm 2008, 10 (9), 1114–1116.

(64)     Ledru, J.; Imrie, C. T.; Pulham, C. R.; Ceolin, R.; Hutchinson, J. M. High Pressure Differential Scanning Calorimetry Investigations on the Pressure Dependence of the Melting of Paracetamol Polymorphs I and II. J. Pharm. Sci. 2007, 96 (10), 2784–2794.

(63)     Allan, D. R.; Marshall, W. G.; Pulham, C. R. The High-Pressure Crystal Structure of Potassium Hydrogen Carbonate (KHCO3). Am. Mineral. 2007, 92 (7), 1018–1025.

(62)     Fabbiani, F. P. A.; Allan, D. R.; David, W. I. F.; Davidson, A. J.; Lennie, A. R.; Parsons, S.; Pulham, C. R.; Warren, J. E. High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam. Cryst. Growth Des. 2007, 7 (6), 1115–1124.

(61)     Walker, M.; Morrison, C. A.; Allan, D. R.; Pulham, C. R.; Marshall, W. G. A New High Pressure Phase of Sodium Formate Dihydrate; an Experimental and Computational Study. Dalton Trans. 2007, No. 20, 2014–2019.

(60)     Fabbiani, F. P. A.; Allan, D. R.; Parsons, S.; Pulham, C. R. Exploration of the High-Pressure Behaviour of Polycyclic Aromatic Hydrocarbons: Naphthalene, Phenanthrene and Pyrene. Acta Crystallogr. Sect. B-Struct. Sci. 2006, 62, 826–842.

(59)     Walker, M.; Pulham, C. R.; Morrison, C. A.; Allan, D. R.; Marshall, W. G. Nitric Acid Dihydrate at Ambient and High Pressure: An Experimental and Computational Study. Phys. Rev. B 2006, 73 (22), 224110.

(58)     Moggach, S. A.; Allan, D. R.; Clark, S. J.; Gutmann, M. J.; Parsons, S.; Pulham, C. R.; Sawyer, L. High-Pressure Polymorphism in L-Cysteine: The Crystal Structures of L-Cysteine-III and L-Cysteine-IV. Acta Crystallogr. Sect. B-Struct. Sci. 2006, 62, 296–309.

(57)     Davie, M. E.; Foerster, T.; Parsons, S.; Pulham, C.; Rankin, D. W. H.; Smart, B. A. The Crystal Structure of tetrakis(dimethylamino)titanium(IV). Polyhedron 2006, 25 (4), 923–929.

(56)     Fabbiani, F. P. A.; Pulham, C. R. High-Pressure Studies of Pharmaceutical Compounds and Energetic Materials. Chem. Soc. Rev. 2006, 35 (10), 932–942.

(55)     Blagden, N.; Davey, R.; Dent, G.; Song, M.; David, W. I. F.; Pulham, C. R.; Shankland, K. Woehler and Liebig Revisited: A Small Molecule Reveals Its Secrets - The Crystal Structure of the Unstable Polymorph of Benzamide Solved after 173 Years. Cryst. Growth Des. 2005, 5 (6), 2218–2224.

(54)     Wilkes, S.; Pulham, C. Polymorph Predators. Mater. World 2005, 13 (10), 16–18.

(53)     McGregor, P. A.; Allan, D. R.; Parsons, S.; Pulham, C. R. The Low-Temperature and High-Pressure Crystal Structures of Cyclobutanol (C4H7OH). Acta Crystallogr. Sect. B-Struct. Sci. 2005, 61, 449–454.

(52)     Dawson, A.; Allan, D. R.; Belmonte, S. A.; Clark, S. J.; David, W. I. F.; McGregor, P. A.; Parsons, S.; Pulham, C. R.; Sawyer, L. Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine. Cryst. Growth Des. 2005, 5 (4), 1415–1427.

(51)     Parkin, A.; Spanswick, C. K.; Pulham, C. R.; Wilson, C. C. 2-Iodoaniline at 100 K. Acta Crystallogr. Sect. E-Struct. Rep. Online 2005, 61, O1087–O1089.

(50)     Fabbiani, F. P. A.; Allan, D. R.; Parsons, S.; Pulham, C. R. An Exploration of the Polymorphism of Piracetam Using High Pressure. Crystengcomm 2005, 7, 179–186.

(49)     David, W. I. F.; Shankland, K.; Pulham, C. R.; Blagden, N.; Davey, R. J.; Song, M. Polymorphism in Benzamide. Angew. Chem.-Int. Ed. 2005, 44 (43), 7032–7035.

(48)     Fabbiani, F. P. A.; Allan, D. R.; David, W. I. F.; Moggach, S. A.; Parsons, S.; Pulham, C. R. High-Pressure Recrystallisation—a Route to New Polymorphs and Solvates. CrystEngComm 2004, 6 (82), 504–511.

(47)     Parkin, A.; Johnstone, S. F.; Mount, A. R.; Parsons, S.; Pulham, C. R.; Sanders, D. A Cell for the in Situ Study of Electrocrystallization. J. Appl. Crystallogr. 2004, 37, 312–318.

(46)     Fabbiani, F. P. A.; Allan, D. R.; Dawson, A.; David, W. I. F.; McGregor, P. A.; Oswald, I. D. H.; Parsons, S.; Pulham, C. R. Pressure-Induced Formation of a Solvate of Paracetamol. Chem. Commun. 2003, No. 24, 3004–3005.

(45)     Fleischer, H.; Parsons, S.; Pulham, C. R. Tetra­methyl­lead(IV) at 150 K. Acta Crystallogr. Sect. E 2003, 59 (1), m11–m13.

(44)     Pardoe, J. A. J.; Norman, N. C.; Timms, P. L.; Parsons, S.; Mackie, I.; Pulham, C. R.; Rankin, D. W. H. The Surprising Structures of B8F12 and B10F12. Angew. Chem. Int. Ed. 2003, 42 (5), 571–573.

(43)     Oswald, I. D. H.; Allan, D. R.; McGregor, P. A.; Motherwell, W. D. S.; Parsons, S.; Pulham, C. R. The Formation of Paracetamol (Acetaminophen) Adducts with Hydrogen-Bond Acceptors. Acta Crystallogr. Sect. B 2002, 58 (6), 1057–1066.

(42)     Parkin, A.; Parsons, S.; Pulham, C. R. Paracetamol Monohydrate at 150 K. Acta Crystallogr. Sect. E 2002, 58 (12), o1345–o1347.

(41)     Oswald, I. D. H.; Motherwell, W. D. S.; Parsons, S.; Pulham, C. R. A Paracetamol–morpholine Adduct. Acta Crystallogr. Sect. E 2002, 58 (11), o1290–o1292.

(40)     Dawson, A.; Parkin, A.; Parsons, S.; Pulham, C. R.; Young, A. L. C. Titanium(IV) Chloride at 150 K. Acta Crystallogr. Sect. E 2002, 58 (10), i95–i97.

(39)     Maley, I. J.; Parsons, S.; Pulham, C. R. Lead(IV) Chloride at 150 K. Acta Crystallogr. Sect. E 2002, 58 (9), i79–i81.

(38)     Allan, D. R.; McGregor, P. A.; McLachlan, L. J.; Parsons, S.; Pulham, C. R. Treatment of `twinning’ in Iso­propyl­cyclo­hexane. Acta Crystallogr. Sect. E 2002, 58 (6), o652–o655.

(37)     McGregor, P. A.; Allan, D. R.; Parsons, S.; Pulham, C. R. Preparation and Crystal Structure of a Trihydrate of Paracetamol. J. Pharm. Sci. 2002, 91 (5), 1308–1311.

(36)     Johnsen, E.; Downs, A. J.; Goode, M. J.; Greene, T. M.; Himmel, H.-J.; Müller, M.; Parsons, S.; Pulham, C. R. Some Chemical Properties of Monochlorogallane:  Decomposition to Gallium(I) Trichlorogallate(III), Ga+[GaCl3H]-, and Other Reactions. Inorg. Chem. 2001, 40 (18), 4755–4761.

(35)     Downs, A. J.; Greene, T. M.; Johnsen, E.; Brain, P. T.; Morrison, C. A.; Parsons, S.; Pulham, C. R.; Rankin, D. W. H.; Aarset, K.; Mills, I. M.; Page, E. M.; Rice, D. A. Preparation and Properties of Gallaborane, GaBH6:  Structure of the Gaseous Molecule H2Ga(μ-H)2BH2 As Determined by Vibrational, Electron Diffraction, and Ab Initio Studies, and Structure of the Crystalline Solid at 110 K As Determined by X-Ray Diffraction. Inorg. Chem. 2001, 40 (14), 3484–3497.

(34)     Griffiths, L. E.; Lee, M. R.; Mount, A. R.; Kondoh, H.; Ohta, T.; Pulham, C. R. Low Temperature Electrochemical Synthesis of Titanium Nitride. Chem. Commun. 2001, No. 6, 579–580.

(33)     Konietzny, S.; Fleischer, H.; Parsons, S.; Pulham, C. R. Structural Characterisation of Dimethylgallium Tetrahydroborate and Its Adducts with Diethyl Ether and Tetrahydrofuran. J. Chem. Soc. Dalton Trans. 2001, No. 3, 304–308.

(32)     Johnsen, E.; Downs, A. J.; Greene, T. M.; Souter, P. F.; Aarset, K.; Page, E. M.; Rice, D. A.; Richardson, A. N.; Brain, P. T.; Rankin, D. W. H.; Pulham, C. R. Monochlorogallane:  Physical Properties and Structure of the Gaseous Molecule H2Ga(μ-Cl)2GaH2 As Determined by Vibrational, Electron Diffraction, and Ab Initio Studies. Inorg. Chem. 2000, 39 (4), 719–727.

(31)     Downs, A. J.; Greene, T. M.; Collin, S. E.; Whitehurst, L. A.; Brain, P. T.; Morrison, C. A.; Pulham, C. R.; Smart, B. A.; Rankin, D. W. H.; Keys, A.; Barron, A. R. Dimethylalane, [Me2AlH]n, in the Vapor Phase and in Hydrocarbon Solution:  Gas-Phase Electron Diffraction, Spectroscopic, Colligative, and Ab Initio Studies. Organometallics 2000, 19 (4), 527–538.

(30)     Hensen, K.; Lemke, A.; Stumpf, T.; Bolte, M.; Fleischer, H.; Pulham, C. R.; Gould, R. O.; Harris, S. Synthesis and Structural Characterization of (1,4-Dihydropyrid-1-Yl)aluminum Complexes. Inorg. Chem. 1999, 38 (21), 4700–4704.

(29)     Allan, D. R.; Clark, S. J.; Ibberson, R. M.; Parsons, S.; Pulham, C. R.; Sawyer, L. The Influence of Pressure and Temperature on the Crystal Structure of Acetone. Chem. Commun. 1999, No. 8, 751–752.

(28)     Greene, T. M.; Downs, A. J.; Pulham, C. R.; Haaland, A.; Verne, H. P.; Volden, H. V.; Timofeeva, T. V. Molecular Structures of Pentamethylarsenic(V) and Trimethyldichloroarsenic(V) by Gas Electron Diffraction and Ab Initio Calculations:  Molecular Mechanics Calculations on Pentamethylarsenic(V), Pentaphenylarsenic(V), and Related Compounds. Organometallics 1998, 17 (24), 5287–5293.

(27)     Morrison, C. A.; Smart, B. A.; Brain, P. T.; Pulham, C. R.; Rankin, D. W. H.; Downs, A. J. Molecular Structures of tetraborane(10) Derivatives: Ab Initio Calculations for H2MB3H8 (M = B, Al, Ga or In) and Gas-Phase Electron Diffraction Study of H2GaB3H8. J. Chem. Soc. Dalton Trans. 1998, No. 13, 2147–2154.

(26)     Mitzel, N. W.; Brown, D. H.; Parsons, S.; Brain, P. T.; Pulham, C. R.; Rankin, D. W. H. Differences Between Gas-Phase and Solid-State Molecular Structures of the Simplest Phosphonium Ylide, Me3P=CH2. Angew. Chem. Int. Ed. 1998, 37 (12), 1670–1672.

(25)     Aldridge, S.; Downs, A. J.; Hofmann, M.; Pulham, C. R.; von RaguéSchleyer, P. Methylzinc Tetrahydroborate: Investigation of the Vapour Phase by Spectroscopic and Quantum Chemical Techniques. J. Mol. Struct. 1998, 444 (1), 29–46.

(24)     Fleischer, H.; McKean, D. C.; Pulham, C. R.; Bühl, M. Bis(chloromethylsilyl)amine and Bis(chloromethylsilyl)methylamine; Preparation, Reactivity and Spectroscopic Studies of Their Stereoisomers and Conformers‡. J. Chem. Soc. Dalton Trans. 1998, No. 4, 585–592.

(23)     Mawhorter, R. J.; Cave, R. J.; Pulham, C. R.; Biermann, S.; Hoeft, J.; Törring, T. Structural ChemistryA Harmonic Potential Function for Lithium Sodium Difluoride, LiNaF2. J. Mol. Struct. 1997, 413, 415–422.

(22)     Smart, B. A.; Griffiths, L. E.; Pulham, C. R.; Robertson, H. E.; Mitzel, N. W.; Rankin, D. W. H. Molecular Structure of tin(II) Acetate Asdetermined in the Gas Phase by Electron Diffraction and Abinitio Calculations. J. Chem. Soc. Dalton Trans. 1997, No. 9, 1565–1570.

(21)     Downs, A. J.; Parsons, S.; Pulham, C. R.; Souter, P. F. Helical, Polymeric Chains in Crystalline Gallaborane [GaBH6]n at 110 K. Angew. Chem. Int. Ed. Engl. 1997, 36 (8), 890–891.

(20)     Aldridge, S.; Blake, A. J.; Downs, A. J.; Gould, R. O.; Parsons, S.; Pulham, C. R. Some Tetrahydroborate Derivatives of Aluminium: Crystal Structures Ofdimethylaluminium Tetrahydroborate and the α and β Phases Ofaluminium Tris(tetrahydroborate) at Low Temperature. J. Chem. Soc. Dalton Trans. 1997, No. 6, 1007–1012.

(19)     Downs, A. J.; Greene, T. M.; McGrady, G. S.; Townson, N.; Brain, P. T.; Pulham, C. R.; Rankin, D. W. H.; Robertson, H. E.; Smart, B. A.; Alberts, I. L. Molecular Structures of Methyldifluoroarsine, CH3AsF2, and Dimethylfluoroarsine, (CH3)2AsF, in the Gas Phase As Determined by Electron Diffraction and Ab Initio Calculations. Inorg. Chem. 1996, 35 (24), 6952–6958.

(18)     Fischer, R. A.; Miehr, A.; Herdtweck, E.; Mattner, M. R.; Ambacher, O.; Metzger, T.; Born, E.; Weinkauf, S.; Pulham, C. R.; Parsons, S. Triazidogallium and Derivatives: New Precursors to Thin Films and Nanoparticles of GaN. Chem. – Eur. J. 1996, 2 (11), 1353–1358.

(17)     Aldridge, S.; Blake, A. J.; Downs, A. J.; Parsons, S.; Pulham, C. R. Methylzinc Tetrahydroborate: Physical and Chemical Properties and Crystal Structure at Low Temperature. J. Chem. Soc. Dalton Trans. 1996, No. 6, 853–859.

(16)     Haaland, A.; Verne, H. P.; Volden, H. V.; Pulham, C. R. Spectroscopy and Quantum Chemical Theory Applied to Problems in Molecular StructureThe Molecular Structure of Trimethyltantalum Dichloride, (CH3)3TaCl2, as Determined by Gas Electron Diffraction. J. Mol. Struct. 1996, 376 (1), 151–155.

(15)     Abdo, B. T.; Alberts, I. L.; Attfield, C. J.; Banks, R. E.; Blake, A. J.; Brain, P. T.; Cox, A. P.; Pulham, C. R.; Rankin, D. W. H.; Robertson, H. E.; Murtagh, V.; Heppeler, A.; Morrison, C. Perfluorocyclopropene:  Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases. J. Am. Chem. Soc. 1996, 118 (1), 209–216.

(14)     Pulham, C. R.; Downs, A. J.; Goode, M. J.; Mills, I. M. The Vibrational Spectra of Natural and Perdeuterated Monochlorogallane, H2Ga(μ-Cl)2GaH2, and an Empirical Harmonic Potential Function. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 1995, 51 (5), 769–777.

(13)     Downs, A. J.; Harman, L. A.; Thomas, P. D. P.; Pulham, C. R. Hydridogallium Bis(tetrahydroborate), HGa(BH4)2: Synthesis and Properties. Polyhedron 1995, 14 (7), 935–945.

(12)     Downs, A. J.; Greene, T. M.; Harman, L. A.; Souter, P. F.; Brain, P. T.; Pulham, C. R.; Rankin, D. W. H.; Robertson, H. E.; Hofmann, M.; Schleyer, P. v. R. Hydridogallium Bis(tetrahydroborate) in the Gas Phase: Vibrational Properties and Structure Determined by Electron Diffraction and Ab Initio and Density Functional Theory Computations. Inorg. Chem. 1995, 34 (7), 1799–1809.

(11)     Blake, A. J.; Pulham, C. R.; Greene, T. M.; Downs, A. J.; Haaland, A.; Verne, H. P.; Volden, H. V.; Marsden, C. J.; Smart, B. A. Structure of Tetramethyltellurium(IV) Determined Experimentally in the Solid and Gas Phases and by Ab Initio Calculations. J. Am. Chem. Soc. 1994, 116 (13), 6043–6044.

(10)     Downs, A. J.; Pulham, C. R. The Hydrides of Aluminium, Gallium, Indium, and Thallium: A Re-Evaluation. Chem. Soc. Rev. 1994, 23 (3), 175–184.

(9)     Kurth, F. A.; Eberlein, R. A.; Schnöckel, H.; Downs, A. J.; Pulham, C. R. Molecular Aluminium Trihydride, AlH3: Generation in a Solid Noble Gas Matrix and Characterisation by Its Infrared Spectrum and Ab Initio Calculations. J. Chem. Soc. Chem. Commun. 1993, No. 16, 1302–1304.

(8)     Haaland, A.; Hammel, A.; Rypdal, K.; Verne, H. P.; Volden, H. V.; Pulham, C. The Structures of Pentamethyltantalum and -Antimony: One Square Pyramid and One Trigonal Bipyramid. Angew. Chem. Int. Ed. Engl. 1992, 31 (11), 1464–1467.

(7)     Downs, A. J.; Duckworth, D.; Machell, J. C.; Pulham, C. R. The Spectroscopic Properties and X-Ray Crystal Structure of a Discrete Molecular Alane, Dimethylamidoalane, [Me2NAlH2]3. Polyhedron 1992, 11 (11), 1295–1304.

(6)     Pulham, C. R.; Downs, A. J.; Rankin, D. W. H.; Robertson, H. E. 2-Galla-Arachno-tetraborane(10), H2GaB3H8: Synthesis, Properties and Structure of the Gaseous Molecule as Determined by Electron Diffraction. J. Chem. Soc. Dalton Trans. 1992, No. 9, 1509–1520.

(5)     Pulham, C. R.; Downs, A. J.; Goode, M. J.; Rankin, D. W. H.; Robertson, H. E. Gallane: Synthesis, Physical and Chemical Properties, and Structure of the Gaseous Molecule Ga2H6 as Determined by Electron Diffraction. J. Am. Chem. Soc. 1991, 113 (14), 5149–5162.

(4)     Pulham, C. R.; Downs, A. J.; Rankin, D. W. H.; Robertson, H. E. Arachno-2-gallatetraborane(10), H2GaB3H8: Synthesis, Properties and Structure of the Gaseous Molecule as Determined by Electron Diffraction. J. Chem. Soc. Chem. Commun. 1990, No. 21, 1520–1521.

(3)     Pulham, C. R.; Brain, P. T.; Downs, A. J.; Rankin, D. W. H.; Robertson, H. E. Gallaborane, H2Ga(µ-H)2BH2: Synthesis, Properties, and Structure of the Gaseous Molecule as Determined by Electron Diffraction. J. Chem. Soc. Chem. Commun. 1990, No. 2, 177–178.

(2)     Downs, A. J.; Goode, M. J.; Pulham, C. R. Gallane at Last! Synthesis and Properties of Binary Gallium Hydride. J. Am. Chem. Soc. 1989, 111 (5), 1936–1937.

(1)     Goode, M. J.; Downs, A. J.; Pulham, C. R.; Rankin, D. W. H.; Robertson, H. E. Monochlorogallane: Synthesis, Properties, and Structure of the Dimer H2Ga(µ-Cl)2GaH2 in the Gas Phase as Determined by Electron Diffraction. J. Chem. Soc. Chem. Commun. 1988, No. 12, 768–769.

The Pulham Group

Prof. Colin R. Pulham

EaStChem School of Chemistry

The University of Edinburgh

c.r.pulham@ed.ac.uk