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Synthesis of well-defined graft co-polymers via coupled living anionic and living ring-opening metathesis polymerisation (2004)
Journal Article
Khosravi, E., Hutchings, L., & Kujawa-Welten, M. (2004). Synthesis of well-defined graft co-polymers via coupled living anionic and living ring-opening metathesis polymerisation. Designed Monomers and Polymers, 7(6), 619-632

The synthesis of polystyrene (PS) macromonomers functionalised with a norbornene (Nbe) unit and their living ring-opening metathesis polymerisation (ROMP) to produce comb graft copolymers is described. Macromonomers comprising of one PS chain per Nbe... Read More about Synthesis of well-defined graft co-polymers via coupled living anionic and living ring-opening metathesis polymerisation.

The R-1(2)(6) hydrogen-bonded synthon in neutral urea and metal-bound halide systems (2004)
Journal Article
Turner, D., Smith, B., Goeta, A., Evans, I., Tocher, D., Howard, J., & Steed, J. (2004). The R-1(2)(6) hydrogen-bonded synthon in neutral urea and metal-bound halide systems. CrystEngComm, 6, 633-641

The recurrence of the R-1(2)(6) motif between urea and metal bound halides is explored through studies in the CSD, including examples of the closely related thiourea and guanidine-based structures. A series of compounds containing the isomeric pyridy... Read More about The R-1(2)(6) hydrogen-bonded synthon in neutral urea and metal-bound halide systems.

Bis(carbene)pyridine complexes of the early to middle transition metals: Survey of ethylene oligomerization and polymerization capability (2004)
Journal Article
McGuinness, D., Gibson, V., & Steed, J. (2004). Bis(carbene)pyridine complexes of the early to middle transition metals: Survey of ethylene oligomerization and polymerization capability. Organometallics, 23(26), 6288-6292

Bis(carbene)pyridines of the type 2,6-bis(1-(alkyl/aryl)imidazol-2-ylidene)pyridine have been complexed to Ti, V, Cr, Fe, and Co and single-crystal X-ray structures obtained for two of the complexes (M = Cr, Fe). The structures confirm the tight chel... Read More about Bis(carbene)pyridine complexes of the early to middle transition metals: Survey of ethylene oligomerization and polymerization capability.

The unusual solid state structure of heroin hydrochloride monohydrate and its selective detection using NQR spectroscopy (2004)
Journal Article
Balchin, E., Malcolme-Lawes, D., Rowe, M., Smith, J., Bearpark, M., Steed, J., …Stephenson, D. (2004). The unusual solid state structure of heroin hydrochloride monohydrate and its selective detection using NQR spectroscopy. New Journal of Chemistry, 28(11), 1309-1314

Heroin hydrochloride monohydrate, the normal crystalline form of this material, has been studied by X-ray crystallography, nuclear quadrupole resonance spectroscopy, and theoretical calculations. The X-ray data at 120 K could be refined in either of... Read More about The unusual solid state structure of heroin hydrochloride monohydrate and its selective detection using NQR spectroscopy.

Molecular containers: Design approaches and applications (2004)
Journal Article
Turner, D., Pastor, A., Alajarin, M., & Steed, J. (2004). Molecular containers: Design approaches and applications

The design and synthesis of molecular containers is playing an increasing role in the selective removal and detection of species within solution. The cavities offered by such species provide the possibility of three-dimensional molecular recognition... Read More about Molecular containers: Design approaches and applications.

Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface (2004)
Journal Article
Anderson, P., & Wilson, M. (2004). Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface. The Journal of Chemical Physics, 121(17), 8503-8510

Fully atomistic molecular dynamics simulations of amphiphilic graft copolymer molecules have been performed at a range of surface concentrations at a water/air interface. These simulations are compared to experimental results from a corresponding sys... Read More about Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface.

Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation (2004)
Journal Article
Cheung, D., Clark, S., & Wilson, M. (2004). Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation. The Journal of Chemical Physics, 121(18), 9131-9139. https://doi.org/10.1063/1.1802231

Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data have been obtained for a series of temperatures in the... Read More about Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation.

A highly efficient, preorganized macrobicyclic receptor for halides based on CH··· and NH···anion interactions (2004)
Journal Article
Ilioudis, C., Tocher, D., & Steed, J. (2004). A highly efficient, preorganized macrobicyclic receptor for halides based on CH··· and NH···anion interactions. Journal of the American Chemical Society, 126(39), 12395-12402. https://doi.org/10.1021/ja047070g

The preorganized, macrobicyclic azaphane (1) exhibits remarkable strong, selective fluoride binding comparable to the most effective bis(tren) cryptands despite binding anions via only three NH groups coupled with three CH hydrogen bond donors. The l... Read More about A highly efficient, preorganized macrobicyclic receptor for halides based on CH··· and NH···anion interactions.

Synthesis of meta- and paracyclophanes containing unsaturated amino acid residues (2004)
Journal Article
Gibson, S., Jones, J., Kalindjian, S., Knight, J., Mainolfi, N., Rudd, M., …Wright, P. (2004). Synthesis of meta- and paracyclophanes containing unsaturated amino acid residues. Tetrahedron, 60(32), 6945-6958

[7.7], [8.8], [9.9] and [13.13] Paracyclophanes and [9.9] and [13.13] metacyclophanes containing two unsaturated amino acid residues have been synthesised. An X-ray crystallographic study of three of the paracyclophanes and molecular modelling of two... Read More about Synthesis of meta- and paracyclophanes containing unsaturated amino acid residues.

Ring opening metathesis polymerisations of norbornene and norbornadiene derivatives containing oxygen: a study on the regeneration of Grubbs catalyst (2004)
Journal Article
Haigh, D., Kenwright, A., & Khosravi, E. (2004). Ring opening metathesis polymerisations of norbornene and norbornadiene derivatives containing oxygen: a study on the regeneration of Grubbs catalyst. Tetrahedron, 60(34), 7217-7224. https://doi.org/10.1016/j.tet.2004.06.065

Ring opening metathesis polymerisation (ROMP) of norbomene and norbornadiene derivatives containing oxygen are investigated using Grubbs well-defined ruthenium initiator. A series of 7-alkoxy norbornadiene monomers (2b-d), containing alkoxy groups wi... Read More about Ring opening metathesis polymerisations of norbornene and norbornadiene derivatives containing oxygen: a study on the regeneration of Grubbs catalyst.

Complexation of I-4(2-) and I-8(2-) by protonated azacyclophanes (2004)
Journal Article
Ilioudis, C., & Steed, J. (2004). Complexation of I-4(2-) and I-8(2-) by protonated azacyclophanes. CrystEngComm, 6, 239-242

A macrocyclic azacyclophane (1) includes two iodide anions within its macrocyclic cavity. The resulting 1 . 2I(-) complex ( in two polymorphic modifications) sandwiches I-2 in the solid state to give a 'complex of complexes' effectively stabilising t... Read More about Complexation of I-4(2-) and I-8(2-) by protonated azacyclophanes.

Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML4 systems (2004)
Journal Article
Turner, D., Hursthouse, M., Light, A., & Steed, J. (2004). Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML4 systems. Chemical Communications, 1354-1355

A series of compounds of the type [M(1)(4)(H2O)(2)]SO(4)(.)2H(2)O containing a simple urea-based pyridyl ligand have been synthesised and characterised by X-ray crystallography. The enclathrated water exists within discrete linearly stacked cavities... Read More about Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML4 systems.

A modular, self-assembled, separated ion pair binding system (2004)
Journal Article
Turner, D., Spencer, E., Howard, J., Tocher, D., & Steed, J. (2004). A modular, self-assembled, separated ion pair binding system. Chemical Communications, 1352-1353

Assembly of a silver(I) complex of a simple pyridyl ligand containing a urea derivative is templated by nitrate; analogous complexes of Ag2SO4 and AgCF3SO3 exhibit radically different geometries.

Plastic deformation of glassy polystyrene : a unified model of yield and the role of chain length (2004)
Journal Article
Wu, J., & Buckley, C. (2004). Plastic deformation of glassy polystyrene : a unified model of yield and the role of chain length. Journal of Polymer Science Part B: Polymer Physics, 42(11), 2027-2040. https://doi.org/10.1002/polb.20089

A study was made of yield and plastic flow in glassy polystyrene. A range of 12 linear atactic polystyrenes was studied: monodisperse, bimodal blends, and a polydisperse commercial sample. Mn varied between 66,000 and 490,000 g/mol. These were given... Read More about Plastic deformation of glassy polystyrene : a unified model of yield and the role of chain length.