Professor Lee Brammer
School of Mathematical and Physical Sciences
Professor of Inorganic and Solid State Chemistry
+44 114 222 9536
Full contact details
School of Mathematical and Physical Sciences
Dainton Building
13 Brook Hill
Sheffield
S3 7HF
- Profile
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Prof. Brammer obtained his BSc in Chemistry from the University of Bristol in 1983, which was followed by a PhD in Inorganic Chemistry from the same institution in 1987. After a NATO Postdoctoral Fellowship at the University of New Orleans (1987-88) and a Postdoctoral Fellowship at Brookhaven National Laboratory, New York (1989-90), he became an Assistant Professor and subsequently an Associate Professor at the University of Missouri-St. Louis (1990-2001). Since 2001 he has been in Sheffield, first as Reader, but since 2008 as Professor of Chemistry.
- Qualifications
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- Member, British Crystallographic Association (President, 2015-18)
- Research interests
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Our current research can be divided, broadly speaking, into three areas: (i) inorganic supramolecular chemistry, (ii) porous coordination framework materials, and (iii) reactions in molecular crystals.
Inorganic Supramolecular Chemistry
Work in this area involves the use of transition metals to influence the construction and properties of supramolecular assemblies in the solid state (crystal engineering) and in solution. We have a number of ongoing projects in this area, but the principal focus is on (a) detailed study of intermolecular interactions using various experimental and computational methods, and (b) the application of the knowledge gained to the construction of network solids (infinite assemblies). Specific systems being studied include:
- recognition of hydrogen bond donors by halometallate ions and use of halometallates as nodes in hydrogen bonded network construction;
- linking coordination compounds or organometallic compounds into networks using peripherally situated ligand-centred hydrogen bonds;
- understanding halogen bonding and the use of halogen bonding as a strong directional interaction that is a viable alternative to hydrogen bonding in supramolecular assembly.
Porous Coordination Framework Materials
Framework materials based upon coordination chemistry, often known as metal-organic frameworks (MOFs), provide a highly versatile alternative to well-established porous materials such as zeolites. Their synthesis is based upon molecular chemistry and they are typically constructed as crystalline network solids using metal centres as nodes which are linked via organic bridging ligands. Applications range from sorption and storage of gases (including hydrogen) and volatile pollutants, to host-guest chemistry for chemical separations and even catalysis. Current efforts in our group are focused on flexible, responsive materials and upon functionalised materials tailored to specific applications. Studies involve synthesis, characterisation by diffraction methods (single crystal, powder) and by a range of other techniques including thermal analyses and spectroscopy.
Facilities
Our research is based in excellent modern synthetic laboratories built in 2003, with an accompanying office suite for students and postdocs. The department maintains excellent instrumentation facilities for spectroscopy (NMR, IR, MS) and we have an outstanding X-ray diffraction facility that is crucial in characterisation of the crystalline materials that we study. We also make extensive use of major national and international facilities for diffraction, in particular high flux synchrotron X-ray facilities in the UK (Daresbury SRS and in future Diamond) and at the ESRF in Grenoble, France.
General
My general philosophy is to make use of a variety of approaches and techniques in pursuing research goals. A better overall understanding is developed by such an approach. Thus, students and postdocs have the opportunity to be exposed to many aspects of chemistry, while perhaps developing greater expertise or interests in certain aspects of a project. Many projects involve some synthesis of organic, organometallic and/or coordination compounds, and will involve supramolecular synthesis and/or materials synthesis methods (e.g. solvothermal synthesis). NMR and IR spectroscopy are widely employed and extensive use is made of diffraction methods, particularly single crystal and powder X-ray diffraction, but also neutron diffraction. Materials characterization methods (e.g. DSC, TGA) are also used where needed and computational chemistry is used to support efforts in other areas. Where appropriate the work is conducted within the research group, but collaborative efforts with other research groups have always proven important in our work. We have established collaborations in areas of synthetic and computational chemistry, diffraction and materials characterisation such as gas sorption and magnetic measurements. Such collaborations often provide opportunities for group members to visit and work in other research labs.
Selected Reviews and book chapters
- “Combining metals with halogen bonds,” L. Brammer, G. Mínguez Espallargas and S. Libri, CrystEngComm, 2008, 10, 1712-1727.
- “New trends in crystal engineering,” D. Braga, L. Brammer and N. R. Champness, CrystEngComm, 2005, 7, 1-19.
- “Developments in inorganic crystal engineering,” L. Brammer, Chem. Soc. Rev., 2004, 34, 476-489.
- “Metals and Hydrogen Bonds,” L. Brammer, Dalton Trans., 2003, 3145-3157. (Perspective article)
- “Hydrogen Bonds in Inorganic Chemistry: Application to Crystal Design,” L. Brammer, in "Perspectives in Supramolecular Chemistry, Vol 7: Crystal Design – Structure and Function", ed. G. R. Desiraju, Wiley, 2003, pp 1-75.
- Publications
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Journal articles
- Multi-faceted dynamic behaviour of a flexible metal–organic framework through post-synthetic modification. Acta Crystallographica Section A Foundations and Advances, 79(a2), C139-C139.
- Dual-cell high-pressure studies of porous flexible frameworks from 20 to 30 000 bar. Acta Crystallographica Section A Foundations and Advances, 79(a2), C319-C319.
- Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress. Acta Crystallographica Section C Structural Chemistry, 79(6), 204-216. View this article in WRRO
- Metal‐ligand lability and ligand mobility enables framework transformation via ligand release in a family of crystalline 2D coordination polymers. Chemistry – A European Journal.
- Post‐synthetic modification unlocks a 2D‐to‐3D switch in MOF breathing response: a single‐crystal‐diffraction mapping study. Angewandte Chemie International Edition.
- Post‐synthetic modification unlocks a 2D‐to‐3D switch in MOF breathing response: a single‐crystal‐diffraction mapping study. Angewandte Chemie.
- Multi-stimulus linear negative expansion of a breathing M(O2CR)4-node MOF. Faraday Discussions, 225, 133-151.
- Increasing alkyl chain length in a series of layered metal–organic frameworks aids ultrasonic exfoliation to form nanosheets. Inorganic Chemistry, 58(16), 10837-10845. View this article in WRRO
- Benchmarking of Halogen Bond Strength in Solution with Nickel Fluorides: Bromine versus Iodine and Perfluoroaryl versus Perfluoroalkyl Donors. Chemistry – A European Journal, 25(39), 9237-9241.
- Encapsulation of Crabtree's Catalyst in Sulfonated MIL-101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment. Angewandte Chemie, 130(17), 4622-4627.
- Encapsulation of Crabtree's Catalyst in Sulfonated MIL‐101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment. Angewandte Chemie - International Edition, 57(17), 4532-4537. View this article in WRRO
- Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: Fluoride ligands: Vs. other halides. Chemical Science, 9(15), 3767-3781. View this article in WRRO
- Fe(III) Protoporphyrin IX Encapsulated in a Zinc Metal–Organic Framework Shows Dramatically Enhanced Peroxidatic Activity. Inorganic Chemistry, 57(3), 1171-1183.
- Halogen bonding, chalcogen bonding, pnictogen bonding, tetrel bonding: origins, current status and discussion.. Faraday Discuss. View this article in WRRO
- Beyond the halogen bond: general discussion. Faraday Discussions, 203, 227-244.
- Solid-state chemistry and applications: general discussion. Faraday Discuss., 203, 459-483.
- Computational approaches and sigma-hole interactions: general discussion. Faraday Discussions, 203, 131-163.
- The halogen bond in solution: general discussion. Faraday Discussions, 203, 347-370.
- Coordination change, lability and hemilability in metal-organic frameworks.. Chem Soc Rev, 46, 5444-5462.
- Hydrogen bonding vs. halogen bonding: the solvent decides. Chemical Science, 8(8), 5392-5398. View this article in WRRO
- Cocrystals of spironolactone and griseofulvin based on an in silico screening method. CrystEngComm, 19(26), 3592-3599. View this article in WRRO
- Binding CO2 by a Cr8 Metallacrown. Angewandte Chemie, 129(20), 5619-5622.
- Binding CO₂ by a Cr₈ Metallacrown. Angewandte Chemie International Edition, 56(20), 5527-5530. View this article in WRRO
- Solvent-switchable continuous-breathing behaviour in a diamondoid metal–organic framework and its influence on CO2 versus CH4 selectivity. Nature Chemistry, 9, 882-889. View this article in WRRO
- Arene guest selectivity and pore flexibility in a metal–organic framework with semi-fluorinated channel walls. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 375(2084). View this article in WRRO
- Highly selective detection of Hg2+ and MeHgI by di-pyridin-2-yl-[4-(2-pyridin-4-yl-vinyl)-phenyl]-amine and its zinc coordination polymer. Inorganic Chemistry Frontiers, 3(10), 1297-1305. View this article in WRRO
- Arene Selectivity by a Flexible Coordination Polymer Host.. Chemistry - A European Journal, 22(37), 13120-13126. View this article in WRRO
- Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF. Chem. Sci., 7(3), 2037-2050. View this article in WRRO
- The Contrasting Character of Early and Late Transition Metal Fluorides as Hydrogen Bond Acceptors. Journal of the American Chemical Society, 137(36), 11820-11831. View this article in WRRO
- Uptake and release of small molecules by flexible 1D coordination polymers that exhibit latent nanoporosity. Acta Crystallographica Section A Foundations and Advances, 71(a1), s132-s132.
- Coordination Polymer Flexibility Leads to Polymorphism and Enables a Crystalline Solid-Vapour Reaction: A Multi-technique Mechanistic Study. Chemistry - A European Journal, 21(24), 8799-8811. View this article in WRRO
- Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers. IUCrJ, 2(2), 188-197. View this article in WRRO
- Highly fluorinated naphthalenes and bifurcated C–H⋯F–C hydrogen bonding. CrystEngComm, 16(41), 9711-9720. View this article in WRRO
- A solvent-resistant halogen bond. Chem. Sci., 5(11), 4179-4183. View this article in WRRO
- Molecular trapping by flexible coordination polymers with latent porosity. Acta Crystallographica Section A Foundations and Advances, 70(a1), C908-C908.
- Crystallographic studies of gas sorption in metal-organic frameworks.. Acta Crystallogr B Struct Sci Cryst Eng Mater, 70(Pt 3), 404-422. View this article in WRRO
- Metal Hydrides Form Halogen Bonds: Measurement of Energetics of Binding. Journal of the American Chemical Society, 136(4), 1288-1291. View this article in WRRO
- Flexibility and chemical transformations in network and framework materials. Acta Crystallographica Section A Foundations of Crystallography, 69(a1), s156-s156.
- Zipping and unzipping of a paddlewheel metal-organic framework to enable two-step synthetic and structural transformation.. Chemistry, 19(11), 3552-3557.
- Chemical transformations of a crystalline coordination polymer: A multi-stage solid-vapour reaction manifold. Chemical Science, 4(2), 696-708.
- Coordination chemistry meets halogen bonding and hydrogen bonding: Building networks from 3-iodobenzoate paddlewheel units [Cu
2 (3-Ibz)4 (L)2 ]. CrystEngComm, 15(16), 3151-3159. - Persistent C-I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu
2 (4-Ibz)4 (L)2 . CrystEngComm, 15(16), 3160-3167. - Tuning the magneto-structural properties of non-porous coordination polymers by HCl chemisorption. NATURE COMMUNICATIONS, 3.
- Diiodoacetylene: Compact, strong ditopic halogen bond donor. CrystEngComm, 14(9), 3033-3038.
- One-dimensional organization of free radicals via halogen bonding. CrystEngComm, 14(20), 6381-6383.
- Cyanometallates as halogen bond acceptors. Crystal Growth and Design, 12(1), 205-216.
- Halogen bonding involving metallate ions and anionic ligands. Acta Crystallographica Section A Foundations of Crystallography, 67(a1), C136-C136.
- Different structural destinations: comparing reactions of [CuBr2(3-Brpy)(2)] crystals with HBr and HCl gas. CRYSTENGCOMM, 13(13), 4400-4404.
- Synthesis and polymorphism of (4-ClpyH)(2)[CuCl4]: solid-gas and solid-solid reactions. CRYSTENGCOMM, 13(9), 3189-3196.
- Energetics of halogen bonding of group 10 metal fluoride complexes. Journal of the American Chemical Society, 133(36), 14338-14348.
- Mechanistic Insights into a Gas-Solid Reaction in Molecular Crystals: The Role of Hydrogen Bonding. Angewandte Chemie, 122(47), 9076-9080.
- Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding.. Angew Chem Int Ed Engl, 49(47), 8892-8896.
- Effects of halogen bonding in ferromagnetic chains based on Co(II) coordination polymers. CRYSTENGCOMM, 12(8), 2339-2342.
- Rational modification of the hierarchy of intermolecular interactions in molecular crystal structures by using tunable halogen bonds.. Chemistry, 15(31), 7554-7568.
- Halogen bonded supramolecular assemblies of [Ru(bipy)(CN)4]2- anions and N-methyl-halopyridinium cations in the solid state and in solution.. Inorg Chem, 48(4), 1666-1677.
- Self-assembly of electroactive thiacrown ruthenium(II) complexes into hydrogen-bonded chain and tape networks.. Inorg Chem, 47(24), 11551-11560.
- Porous material behaviour in non-porous crystals: a route to chemical reactions. Acta Crystallographica Section A Foundations of Crystallography, 64(a1), C92-C93.
- Noncovalent interactions under extreme conditions: high-pressure and low-temperature diffraction studies of the isostructural metal-organic networks (4-chloropyridinium)2[CoX4] (X = Cl, Br).. J Am Chem Soc, 130(28), 9058-9071.
- Metal fluorides form strong hydrogen bonds and halogen bonds: measuring interaction enthalpies and entropies in solution.. J Am Chem Soc, 130(25), 7842-7844.
- Ligand Substitution within Nonporous Crystals of a Coordination Polymer: Elimination from and Insertion into AgO Bonds by Alcohol Molecules in a Solid–Vapor Reaction. Angewandte Chemie, 120(9), 1717-1721.
- Combining metals with halogen bonds. CRYSTENGCOMM, 10(12), 1712-1727.
- Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units. CRYSTENGCOMM, 10(10), 1335-1344.
- Ligand Substitution within nonporous crystals of a coordination polymer: elimination from and insertion into Ag-O bonds by alcohol molecules in a solid-vapor reaction.. Angew Chem Int Ed Engl, 47(9), 1693-1697.
- Reversible gas uptake by a nonporous crystalline solid involving multiple changes in covalent bonding.. J Am Chem Soc, 129(50), 15606-15614.
- Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks.. Chem Commun (Camb)(15), 1532-1534.
- Two-dimensional metal-organic frameworks containing linear dicarboxylates.. Acta Crystallogr B, 62(Pt 5), 808-814.
- Reversible extrusion and uptake of HCl molecules by crystalline solids involving coordination bond cleavage and formation.. J Am Chem Soc, 128(30), 9584-9585.
- M-X...X'-C halogen-bonded network formation in MX2(4-halopyridine)(2) complexes (M = Pd, Pt; X = Cl, I; X ' = Cl, Br, I). CRYST GROWTH DES, 6(6), 1374-1379.
- Designing Intermolecular Interactions between Halogenated Peripheries of Inorganic and Organic Molecules: Electrostatically Directed MX⋅⋅⋅X′C Halogen Bonds. Angewandte Chemie, 118(3), 449-454.
- Designing intermolecular interactions between halogenated peripheries of inorganic and organic molecules: electrostatically directed M-X...X'-C halogen bonds.. Angew Chem Int Ed Engl, 45(3), 435-440.
- Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts. CRYSTENGCOMM, 8(5), 425-431.
- Solvent hydrolysis leads to an unusual Cu(II) metal-organic framework. CRYSTENGCOMM, 8(6), 473-476.
- Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide-halometallate anions. CRYSTENGCOMM, 7, 350-354.
- Supramolecular chemistry of halogens: Complementary features of inorganic (M-X) and organic (C-X ') halogens applied to M-X center dot center dot center dot X '-C halogen bond formation. J AM CHEM SOC, 127(16), 5979-5989.
- New trends in crystal engineering. CRYSTENGCOMM, 7, 1-19.
- Happy New Year from CrystEngComm!. CrystEngComm, 7(10), 76-76.
- CrystEngComm: Providing the best editorial service for the crystal engineering community. CrystEngComm, 6(1), 1-1.
- Developments in inorganic crystal engineering.. Chem Soc Rev, 33(8), 476-489.
- Water molecules insert into N-H...Cl-M hydrogen bonds while M-Cl...X-C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates.. Acta Crystallogr B, 60(Pt 5), 512-519.
- Involving metals in halogen-halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M-X center dot center dot center dot X '-C). CRYSTENGCOMM, 5, 343-345.
- Metals and hydrogen bonds. DALTON T(16), 3145-3157.
- Binding studies on the control of the conformation and self-assembly of a calix[4]arenedicarboxylic acid through hydrogen bonding interactions. SUPRAMOL CHEM, 15(5), 385-390.
- Hydrogen bond patterns in aromatic and aliphatic dioximes. NEW J CHEM, 27(7), 1084-1094.
- Designing neutral coordination networks with the aid of hydrogen bond mimicry using silver(I) carboxylates. CRYSTENGCOMM, 239-248.
- Hydrogen bonding and perhalometallate ions: a supramolecular synthetic strategy for new inorganic materials.. Proc Natl Acad Sci U S A, 99(8), 4956-4961.
- [Cp(PMe
3 )2 Ru(η2-HSiCl3 )] +: Structure and bonding of a rare cationic η2-silane complex. Organometallics, 21(10), 2030-2032. - Bridging mode flexibility of 1,3-dithiacyclohexane in silver(I) co-ordination polymers. J CHEM SOC DALTON(22), 4134-4142.
- Understanding the behavior of halogens as hydrogen bond acceptors. CRYST GROWTH DES, 1(4), 277-290.
- RuH
3 (SiCl2 Me)(PPh3 )3 : A trihydridosilylruthenium complex with three nonclassical Ru-H⋯Si interactions. Organometallics, 20(26), 5670-5674. - Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation. CHEM COMMUN(23), 2468-2469.
- An intramolecular N-H center dot center dot center dot Co hydrogen bond and a structure correlation study of the pathway for protonation of the Co(CO)(3)L(-) anion (L = CO, PR(3)). JOURNAL OF ORGANOMETALLIC CHEMISTRY, 609(1-2), 36-43.
- Combining hydrogen bonds with coordination chemistry or organometallic pi-arene chemistry: strategies for inorganic crystal engineering. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(21), 3855-3867.
- Crystal growth, structure characterization, and schemes for economic transport - An integrated approach to the study of natural gas hydrates. GAS HYDRATES: CHALLENGES FOR THE FUTURE, 912, 940-949.
- Fluoride ligands exhibit marked departures from the hydrogen bond acceptor behavior of their heavier halogen congeners. NEW JOURNAL OF CHEMISTRY, 23(10), 965-968.
- pi-bonded organometallic building blocks for supramolecular chemistry. NEW JOURNAL OF CHEMISTRY, 23(5), 461-463.
- Hydrogen bonding in substituted-ammonium salts of the tetracarbonylcobaltate(-I) anion: some insights into potential roles for transition metals in organometallic crystal engineering. COORDINATION CHEMISTRY REVIEWS, 183, 43-80.
- C-H bonds are not elongated by coordination to lanthanide metals: Single-crystal neutron diffraction structures of (C5Me5)Y((OC6H3Bu2)-Bu-t)CH(SiMe3)(2) at 20 K and (C5Me5)La{CH(SiMe3)(2)}(2) at 15 K. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 121(6), 1381-1382.
- N-H⋯N, N-H⋯O and N-H⋯π
CO Hydrogen Bonding in [N,N-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-). Acta Crystallographica Section C: Crystal Structure Communications, 54(12), 1799-1802. - N-H center dot center dot center dot N, N-H center dot center dot center dot O and N-H center dot center dot center dot pi(CO) hydrogen bonding in [N,N-bis(2-amino-ethyl)-2-aminoethyl]ammonium tetra-carbonylcobaltate(1-). ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 54, 1799-1802.
- Supramolecular assembly of anion-channel and anion-layer structures of [PtL4]X-2 (L = nicotinamide; X = Cl or PF6): surprisingly robust arene ring 'herringbone' motifs and adaptable amide-amide hydrogen bonding. NEW JOURNAL OF CHEMISTRY, 22(12), 1315-1318.
- Experimental charge density and neutron structural study of cis-HMn(CO)(4)PPh3: Comprehensive analysis of chemical bonding and evidence for a C-H center dot center dot center dot H-Mn hydrogen bond. INORGANIC CHEMISTRY, 37(24), 6317-6328.
- Unexpectedly Lengthened N-H.Co Hydrogen Bonds? . Inorg Chem, 37(21), 5512-5518.
- Self-Assembly of 1-D Chains of Different Topologies Using the Hydrogen-Bonded Inorganic Supramolecular Synthons N-H.Cl(2)M or N-H.Cl(3)M.. Inorg Chem, 37(19), 4756-4757.
- Bis[tris(2-aminoethyl)amine]cobalt(II)bis[tetracarbonylcobaltate(1-)]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 54, 757-760.
- Metal-bound chlorine often accepts hydrogen bonds. CHEMICAL COMMUNICATIONS(6), 653-654.
- Solution thermochemical and structural studies of ligand substitution of N-pyrrolyl phosphine ligands in the (p-cymene)RuCl2(PR3) system. ORGANOMETALLICS, 17(1), 104-110.
- Synthesis, characterization, and catalytic behavior of ruthenium(II) Schiff base complexes. ORGANOMETALLICS, 16(23), 5120-5123.
- Synthesis, molecular structures, and fluxional behavior of dppm-bridged complexes of platinum(II) with linear gold(I), trigonal silver(I), or tetrahedral mercury(II) centers. ORGANOMETALLICS, 15(19), 3972-3979.
- Neutron diffraction studies of [Cp(PMe(3))(2)RuH] and [Cp(PMe(3))(2)RuH2]BF4 at 20 K. ORGANOMETALLICS, 15(6), 1721-1727.
- Strengthening of N-H center dot center dot center dot Co hydrogen bonds upon increasing the basicity of the hydrogen bond acceptor (Co). ORGANOMETALLICS, 15(5), 1441-1445.
- SYNTHESIS AND CHARACTERIZATION OF STERICALLY HINDERED DIARYLSILANES CONTAINING 2,4,6-TRIMETHYLPHENYL AND 2,4,6-TRIS(TRIFLUOROMETHYL)PHENYL SUBSTITUENTS, X-RAY CRYSTAL-STRUCTURE OF BIS[2,4,6-TRIS(TRIFLUOROMETHYLPHENYL)]FLUOROSILANE. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 499(1-2), 89-98.
- HYDRIDE COMPLEXES OF RUTHENIUM AND RELATED METALS - PREPARATION AND STRUCTURES OF CP(PME(3))(2)RUH AND [CP(PME(3))(2)RUH2]BF4. ORGANOMETALLICS, 14(8), 3980-3987.
- HYDROGEN-BONDS INVOLVING TRANSITION-METAL CENTERS - A BRIEF REVIEW. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 51, 632-640.
- ZIRCONOCENE DICHLORIDE. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 51, 565-567.
- ISOMERS OF SNPH(2)(B5H8)(2) - SYNTHESIS AND CHARACTERIZATION OF MU,MU'-SNPH(2)(B5H(8))(2), MU,2'-SNPH(2)(B5H8)(2), AND MU,1'-SNPH(2)(B5H8)(2). ORGANOMETALLICS, 14(4), 1700-1711.
- LOW-TEMPERATURE STRUCTURES OF [PY(2)H](+)[CO(CO)(4)](-) (PY=PYRIDINE) AND [(TMEN)H](+)[CO(CO)(4)](-) (TMEN=N,N,N',N')-TETRAMETHYLETHYLENEDIAMINE). ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 51, 45-48.
- ALLOGONS .1. LOW-TEMPERATURE X-RAY CRYSTAL-STRUCTURES OF THE TRIGONAL BIPYRAMIDAL AND SQUARE-PYRAMIDAL FORMS OF HCO(CO)(2)(PPH(3))(2). INORGANIC CHEMISTRY, 33(25), 5897-5902.
- CRYSTAL AND MOLECULAR-STRUCTURE OF MU,2'-SNPH(2)(B5H8)(2) AND MU,1'-SNPH(2)(B5H8)(2) - THE FIRST STRUCTURALLY CHARACTERIZED EXAMPLES OF 2 PENTABORANE CAGES LINKED BY A SINGLE HETEROATOM. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS(13), 1531-1532.
- A HYDROGEN-BONDED CHAIN INVOLVING BOTH N-H...N AND N-H...CO HYDROGEN-BONDS - LOW-TEMPERATURE X-RAY CRYSTAL-STRUCTURE OF [(NMP)3H2][CO(CO)4]2 (NMP = N-METHYLPIPERAZINE). ORGANOMETALLICS, 13(5), 1545-1547.
- X-RAY AND NEUTRON-DIFFRACTION STUDIES OF [MOH(ETA-C5ME5)(CO)3] AT 163-K. INORGANIC CHEMISTRY, 32(22), 4819-4824.
- REACTIONS OF COORDINATED LIGANDS .55. MOLYBDENUM-MEDIATED ADDITION OF ALKYNES TO CYCLOOCTATETRAENE - ONE-ELECTRON OXIDATION AND PROTONATION OF ETA(3)-ALLYL(ETA(4)-1,3-DIENE)-(ETA-CYCLOPENTADIENYL OR ETA(5)-INDENYL) MOLYBDENUM COMPLEXES, AND CRYSTAL-STRUCTURES OF [MO(ETA(3),ETA(4)-C12H13)(ETA-C5H5)], [MO(ETA(2),ETA(4)-C14H17)(ETA-C5H5)][BF4] AND [MO(ETA(2),ETA(4)-C12H13)-(MU(MO,C)-H)(ETA(5)-C9H7)][CF3SO3]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(11), 1747-1759.
- ET3NH+CO(CO)4- - HYDROGEN-BONDED ADDUCT OR SIMPLE ION-PAIR - SINGLE-CRYSTAL NEUTRON-DIFFRACTION STUDY AT 15-K. ORGANOMETALLICS, 11(7), 2339-2341.
- LOW-TEMPERATURE NEUTRON-DIFFRACTION STUDY OF HMN2RE(CO)14 AND STUDIES OF A METAL METAL EXCHANGE EQUILIBRIUM THAT CONVERTS HMN2RE(CO)14 INTO HMNRE2(CO)14. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 114(13), 5125-5130.
- THE ROLE OF TRANSITION-METAL ATOMS AS HYDROGEN-BOND ACCEPTORS - A NEUTRON-DIFFRACTION STUDY OF [NPRN4]2[PTCL4].CIS-[PTCL2(NH2ME)2] AT 20-K. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(7), 1789-1798.
- TRANSITION-METAL HYDRIDE COMPLEXES AS LEWIS-BASES - PREPARATION AND CRYSTAL-STRUCTURE OF (RR,SS)-([(ETA-5-C5H5)RU(PPH3)(CNTBU)]2(MU-H))PF6.CH2CL2. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 406(1-2), 197-207.
- LOW-TEMPERATURE NEUTRON-DIFFRACTION STUDY OF BIS(TRI-PARA-TOLYLPHOSPHINE)HEPTAHYDRIDORHENIUM(VII), [REH7(P(C6H4CH3-4)3)2] - A POLYHYDRIDE COMPLEX WITH A SHORT H=H CONTACT THAT MODELS AN INTERMEDIATE STAGE IN THE OXIDATIVE ADDITION OF DIHYDROGEN AT TRANSITION-METAL CENTERS. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS(4), 241-243.
- REACTIONS OF COORDINATED LIGANDS .48. REACTIVITY STUDIES OF THE OCTATRIENEDIYLIDENEDIMOLYBDENUM COMPLEXES [MO2(MU-C8ME8)(ETA-C5H5)2] AND [MO2(MU-C8H4BUT4)(ETA-C5H5)2] - CRYSTAL-STRUCTURES OF [MO2(MU-C8ME7CH2)-(ETA-C5H5)2][CF3SO3], [MO2(MU-C8ME8)(MU-CL)(ETA-C5H5)2][SBCL4].CH2CL2, AND [MO2(MU-C8H4BUT4)(MU-MO,C-H)(ETA-C5H5)2][BPH4].CH2CL2. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(6), 1957-1969.
- TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .2. ORGANOMETALLIC COMPOUNDS AND CO-ORDINATION COMPLEXES OF THE D-BLOCK AND F-BLOCK METALS. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(12), S1-S83.
- STRUCTURE OF DICHLOROBIS(TRIPHENYLPHOSPHINE)NICKEL(II). ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 45, 400-403.
- STRUCTURAL CONSEQUENCES OF ELECTRON-TRANSFER REACTIONS .17. ONE-ELECTRON OXIDATION OF (ETA-4-COT)RHCP - REARRANGEMENTS OF THE RADICAL CATION AND OF THE RESULTING DIMERIZATION PRODUCT. ORGANOMETALLICS, 7(6), 1259-1265.
- TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2(12), S1-S19.
- HYDROGEN-BONDING BY CISPLATIN DERIVATIVES - EVIDENCE FOR THE FORMATION OF N-H ... CL AND N-H ... PT BONDS IN [NPRN4]2([PTCL4].CIS-[PTCL2(NH2ME)2]). JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS(6), 443-445.
- THE REACTIONS OF SIGMA,ETA-3-BUTADIENYLRUTHENIUM COMPLEXES WITH DONOR LIGANDS AND PROTONS - STRUCTURES OF [RUC(PH)=C(PH)-ETA-2-((Z)-C(PH)=CH(PH))(P(OME)3)(ETA-C5H5)] AND [RUC(O)C(PH)=C(PH)-ETA-2-((Z)-C(PH)=CH(PH))(P(OME)3)(ETA-C5H5)]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS(15), 1226-1228.
- REACTIONS OF COORDINATED LIGANDS .36. THE SYNTHESIS, STRUCTURE, AND REACTIVITY OF THE 3-ALKYNE FLY-OVER COMPLEX [MO-2(MU-(SIGMA, ETA-3-ETA-3, SIGMA-C6ME6))-(ETA-5-C9H7)2] - FORMATION AND STRUCTURE OF [MO-2(MU-(SIGMA, ETA-3-ETA-3, SIGMA-C6ME6))-(CO)2(ETA-5-C9H7)2]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(3), 657-667.
- A MOLYBDENUM-CENTRED (6+2)-PI ADDITION OF ALKYNES TO CYCLOOCTATETRAENE AND CYCLOHEPTATRIENE - STRUCTURAL EVIDENCE FOR AN ARRESTED 1,3-HYDROGEN SHIFT. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS(20), 1409-1411.
- Ionic Encapsulation of a Methanol Carbonylation Catalyst in a Microporous Metal-Organic Framework. Chemical Communications.
- Fundamental studies and design of MOFs: general discussion. Faraday Discussions, 231, 127-144.
- Commercialisation and applications: general discussion. Faraday Discussions, 231, 384-396.
- Materials breaking the rules: general discussion. Faraday Discussions.
- Towards complex systems and devices: general discussion. Faraday Discussions, 225, 431-441.
- Novel computational tools: general discussion. Faraday Discussions, 225, 341-357.
- Advanced characterisation techniques: multi-scale, in situ, and time-resolved: general discussion. Faraday Discussions, 225, 152-167.
Chapters
- Structure and Bonding in Organometallic Compounds: Diffraction Methods, Comprehensive Organometallic Chemistry III (pp. 573-603). Elsevier
- Characterizations and Applications: Diffraction Studies in Crystal Engineering, Making Crystals by Design: Methods, Techniques and Applications (pp. 241-265).
- Structure and Bonding in Organometallic Compounds: Diffraction Methods In Parkin G (Ed.), Comprehensive Organometallic Chemistry III (pp. 573-604). Elsevier
- Diffraction Studies in Crystal Engineering In Braga D & Grepioni F (Ed.), Making Crystals by Design (pp. 241-265). Wiley
- Complementary features of inorganic and organic halogens: application to crystal engineering, Transactions of the American Crystallographic Association (pp. 114-122). American Crystallographic Association
- Hydrogen Bonds in Inorganic Chemistry: Application to Crystal Design In Desiraju GR (Ed.), Crystal Design: Structure and Function (pp. 1-75). Wiley
- Direct and indirect roles of metal centres in hydrogen bonding (pp. 197-210).
- The Experimental Electron Density Distribution of A C-H→4C0 Bridged Complex, NATO ASI Series (pp. 353-356). Springer US
- Typical interatomic distances: organometallic compounds and coordination complexes of the d- and f -block metals, International Tables for Crystallography (pp. 812-896). International Union of Crystallography
- Typical interatomic distances: organic compounds, International Tables for Crystallography (pp. 790-811). International Union of Crystallography
Conference proceedings papers
- Solvent-dependent phases and phase transformations of a family of 2D halogen-bonded networks. Acta Crystallographica Section A Foundations and Advances, Vol. 77(a2) (pp C61-C61)
- Exploring the dynamic gas adsorption behaviour of a family of coordination polymers through in situ diffraction techniques. Acta Crystallographica Section A Foundations and Advances, Vol. 75(a2) (pp e515-e515)
- Hydrogen bonds and halogen bonds: solid state, solution phase and theory. Acta Crystallographica Section A Foundations and Advances, Vol. 73(a2) (pp C597-C597)
- Solvent dependence of competitive hydrogen-versushalogen-bonded self-assembly processes in multi-component crystal formation. Acta Crystallographica Section A Foundations and Advances, Vol. 71(a1) (pp s129-s129)
- The solvent-dependent continuous breathing behaviour of a wine-rack MOF. Acta Crystallographica Section A Foundations and Advances, Vol. 71(a1) (pp s87-s87)
- Halogen bonds to transition metal hydride complexes. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 248
- Hydrogen bonds and halogen bonds: solid-state, solution-phase and theory. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, Vol. 70 (pp C597-C597)
- Gas-solid reactions in non-porous crystalline materials studied byin situXRPD. Acta Crystallographica Section A Foundations of Crystallography, Vol. 69(a1) (pp s277-s277)
- Gas–solid reactions in non-porous crystalline materials studied byin situXRPD. Acta Crystallographica Section A Foundations of Crystallography, Vol. 69(a1) (pp s633-s633)
- Halogen bonds in inorganic chemistry. ABSTR PAP AM CHEM S, Vol. 238
- Axial ligand removal and subsequent pillaring of a layered zinc dicarboxylate MOF. Acta Crystallographica Section A Foundations of Crystallography, Vol. 65(a1) (pp s297-s298)
- Extrusion/uptake of alcohols by silver carboxylate coordination networks. Acta Crystallographica Section A Foundations of Crystallography, Vol. 65(a1) (pp s283-s284)
- Metal-organic networks designed by combination of hydrogen bonds and halogen bonds. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64(a1) (pp C81-C81)
- The design and synthesis of metal-carboxylate coordination polymers. Acta Crystallographica Section A Foundations of Crystallography, Vol. 62(a1) (pp s281-s281)
- Halogen-mediated supramolecular chemistry in the solid state. Acta Crystallographica Section A Foundations of Crystallography, Vol. 62(a1) (pp s4-s4)
- M-X...X'-C halogen bonds as efficient and reliable supramolecular synthons in organic-inorganic crystals. Acta Crystallographica Section A Foundations of Crystallography, Vol. 61(a1) (pp c362-c362)
- Halogen bonds in inorganic crystal design. Acta Crystallographica Section A Foundations of Crystallography, Vol. 61(a1) (pp c362-c362)
- Highly fluorinated silver carboxylate layered structures. Acta Crystallographica Section A Foundations of Crystallography, Vol. 61(a1) (pp c356-c357)
- From very weak to very strong hydrogen bonds - testing the limits and finding applications using halogens. Acta Crystallographica Section A Foundations of Crystallography, Vol. 58(s1) (pp c226-c226)
- Self-assembly of transition metal coordination polymers and metallapolygons using pyrimidine derivatives.. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 222 (pp U599-U599)
- RuCl2(PPh3)(3) and hydrosilanes: Travels along a very bumpy reaction manifold.. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 221 (pp U689-U689)
- Design of hydrogen-bonded materials based on perhalometallates.. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 219 (pp U824-U824)
- An assessment of C-H donors and of halogen acceptors in inorganic hydrogen bonding.. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 216 (pp U79-U79)
- Exploitation of hydrogen bonds in linking inorganic molecules.. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 216 (pp U86-U86)
- Modelling inorganic structure and reactivity: Hybrid ab-initio/classical models for complex systems and environmental effects.. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 212 (pp 101-COMP)
- Hydrogen bonds in organometallic chemistry: direct and indirect participation of transition metal centers. Acta Crystallographica Section A Foundations of Crystallography, Vol. 52(a1) (pp C285-C285)
- CRYSTAL AND MOLECULAR-STRUCTURE OF MU,2'-SNPH2(B5H8)2 AND MU,1'SNPH2(B5H8)2 - THE 1ST STRUCTURALLY CHARACTERIZED EXAMPLES OF 2 PENTABORANE CAGES LINKED BY A SINGLE HETEROATOM. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 208 (pp 13-INOR)
- X-RAY AND SPECTROSCOPIC STUDIES OF THE SALTS R3NH+CO(CO)3L-(L = CO, PR3) - COMPOUNDS CONTAINING N-H...CO HYDROGEN-BONDS. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 208 (pp 32-INOR)
- ASPECTS OF MONOCYCLOPENTADIENYL LANTHANIDE CHEMISTRY - SYNTHESIS, AND REACTIVITY WITH OLEFINS AND DIENES, OF [Y(C5ME5)(OAR)(MU-H)]2. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 207 (pp 215-INOR)
- TRANSITION-METALS AS HYDROGEN-BOND ACCEPTORS. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 206 (pp 240-INOR)
- First impact factor—2.730. CrystEngComm, Vol. 6(43) (pp E3-E3)
Preprints
- Selectively dissolving CO2 in highly fluorinated non-porous crystalline materials, American Chemical Society (ACS).
- Teaching interests
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- Chemistry with Study Abroad
- Inorganic Chemistry, Solid State Chemistry, Crystallography, Supramolecular and Materials Chemistry
- Teaching activities
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Undergraduate and postgraduate taught modules
- Introduction to Solid State Chemistry (Level 2)
The course introduces the structural aspects of solid state chemistry, including how crystalline solids can be desribed in terms of lattices, unit cells and space group symmetry. - Diffraction Techniques in Structural Chemistry (Level 3)
The course provides an introduction to single crystal X-ray diffraction methods used to determine the structure of solid compounds. - Crystal Engineering: Supramolecular Assembly to Materials (Level 4)
This advanced course discusses how control over crystal structure, through crystal design and synthesis, offers the prospect of designer materials with designed properties.
Support Teaching:
- Tutorials: Level 2 Inorganic Chemistry.
Laboratory Teaching:
- Level 2 Inorganic Laboratories
- Level 3 Research Project
- Level 4 Research Project
- Introduction to Solid State Chemistry (Level 2)