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Synthesis and structure of 4,4 '-bis(2,3,4,5,6- pentafluorostyryl)stilbene, a self-assembling J aggregate based on aryl-fluoroaryl interactions (2001)
Journal Article
Feast, W., Lovenich, P., Puschmann, H., & Taliani, C. (2001). Synthesis and structure of 4,4 '-bis(2,3,4,5,6- pentafluorostyryl)stilbene, a self-assembling J aggregate based on aryl-fluoroaryl interactions. Chemical Communications, 505-506. https://doi.org/10.1039/b100002k

The synthesis and characterisation of 4,4'-bis(2,3,4,5,6- pentafluorostyryl)stilbene is described; this molecule forms a J aggregate by self-assembly based on aryl-fluoroaryl interactions.

Polymeric alkoxy PBD 2-(4-biphenylyl)-5-phenyl-1,3,4- oxadiazole for light-emitting diodes (2001)
Journal Article
Wang, C., Kilitziraki, M., Palsson, L., Bryce, M., Monkman, A., & Samuel, I. (2001). Polymeric alkoxy PBD 2-(4-biphenylyl)-5-phenyl-1,3,4- oxadiazole for light-emitting diodes. Advanced Functional Materials, 11(1), 47-50

The syntheses are reported of the title polymeric alkoxyPBD derivative 5 and the dipyridyl analogue 12 using Suzuki coupling reactions of 1.4-dialkoxybenzene-2.5-diboronic acid with 2.5-bis(4-bromophenyl)-1,3,5-oxadiazole. and its dipyridyl analogue,... Read More about Polymeric alkoxy PBD 2-(4-biphenylyl)-5-phenyl-1,3,4- oxadiazole for light-emitting diodes.

Molecular saddles. 4. Redox-active cyclophanes by bridging the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene system: Synthesis, electrochemistry, and X-ray crystal structures of neutral species and a dication salt (2001)
Journal Article
Godbert, N., Batsanov, A., Bryce, M., & Howard, J. (2001). Molecular saddles. 4. Redox-active cyclophanes by bridging the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene system: Synthesis, electrochemistry, and X-ray crystal structures of neutral species and a dication salt. Journal of Organic Chemistry, 66(3), 713-719

We report the synthesis of a new series of cyclophanes 11a-d by ester-forming macrocyclization reactions of diol 9 with the dicarbonyl chloride derivatives of benzene, thiophene, ferrocene, and diphenyl ether, 10a-d, respectively. Compounds 11a-d dis... Read More about Molecular saddles. 4. Redox-active cyclophanes by bridging the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene system: Synthesis, electrochemistry, and X-ray crystal structures of neutral species and a dication salt.

Molecular saddles, 3. Hydroxymethyl-functionalised 9,10- bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene pi-electron donors as synthetic intermediates for supramolecular structures (2001)
Journal Article
Godbert, N., Bryce, M., Dahaoui, S., Batsanov, A., Howard, J., & Hazendonk, P. (2001). Molecular saddles, 3. Hydroxymethyl-functionalised 9,10- bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene pi-electron donors as synthetic intermediates for supramolecular structures. European Journal of Organic Chemistry, 749-757

The synthesis of new derivatives of 9,10-bis(1,3-dithiol-2- ylidene)-9,10-dihydroanthracene is reported. H-1 NMR studies on compound 4 are consistent with two conformers of the saddle- shaped molecule which interconvert by a boat-boat flipping of the... Read More about Molecular saddles, 3. Hydroxymethyl-functionalised 9,10- bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene pi-electron donors as synthetic intermediates for supramolecular structures.

A new three-dimensional incommensurately modulated cubic phase (in ZrP2B7) and its symmetry characterization via temperature- dependent electron diffraction (2001)
Journal Article
Withers, R., Tabira, Y., Evans, J., King, I., & Sleight, A. (2001). A new three-dimensional incommensurately modulated cubic phase (in ZrP2B7) and its symmetry characterization via temperature- dependent electron diffraction. Journal of Solid State Chemistry, 157(1), 186-192

A detailed electron diffraction study has been made of the ZrP2O7 member of the AM(2)O(7) family of framework structures and of its temperature-dependent structural phase transformations. The room-temperature phase corresponds to a primitive 3 x 3 x... Read More about A new three-dimensional incommensurately modulated cubic phase (in ZrP2B7) and its symmetry characterization via temperature- dependent electron diffraction.

A domain decomposition molecular dynamics program for the simulation of flexible molecules with an arbitrary topology of Lennard-Jones and/or Gay-Berne sites (2001)
Journal Article
Ilnytskyi, J., & Wilson, M. (2001). A domain decomposition molecular dynamics program for the simulation of flexible molecules with an arbitrary topology of Lennard-Jones and/or Gay-Berne sites. Computer Physics Communications, 134(1), 23-32. https://doi.org/10.1016/s0010-4655%2800%2900187-9

We describe a new parallel molecular dynamics program GBMOLDD which uses the domain decomposition algorithm. The program is designed to simulate molecular systems composed of both spherically-symmetric and anisotropic sites connected via arbitrary to... Read More about A domain decomposition molecular dynamics program for the simulation of flexible molecules with an arbitrary topology of Lennard-Jones and/or Gay-Berne sites.

The molecular structure of (PSH+)(nido-7,8-C2B9H12-) determined by neutron diffraction (PS = proton sponge, 1,8- bis(dimethylamino)naphthalene) (2001)
Journal Article
Fox, M., Goeta, A., Howard, J., Hughes, A., Johnson, A., Keen, D., …Wilson, C. (2001). The molecular structure of (PSH+)(nido-7,8-C2B9H12-) determined by neutron diffraction (PS = proton sponge, 1,8- bis(dimethylamino)naphthalene). Inorganic Chemistry, 40(1), 173-+

A neutron diffraction study of the salt (PSH+)(nido-7 8- C2B9H12-) reveals the unsymmetrically bridging site of the endo hydrogen in the carborane anion. This is the first neutron diffraction structure determination of a cluster borane or carborane c... Read More about The molecular structure of (PSH+)(nido-7,8-C2B9H12-) determined by neutron diffraction (PS = proton sponge, 1,8- bis(dimethylamino)naphthalene).

Trimethyltetrathiafulvalene bearing an N-methylpyridinium substituent: Synthesis, crystal structures, and charge transfer properties (2001)
Journal Article
Moore, A., Batsanov, A., Bryce, M., Howard, J., Khodorkovsky, V., Shapiro, L., & Shames, A. (2001). Trimethyltetrathiafulvalene bearing an N-methylpyridinium substituent: Synthesis, crystal structures, and charge transfer properties. European Journal of Organic Chemistry, 73-78

The synthesis of 4,4',5-trimethyl-5'-(4-pyridyl)tetrathiafulva- lene (3), has been accomplished by reaction of the stannylated precursor 2 with 4-bromopyridine. Alkylation of 3 affords the N-methylpyridinium salt 4 which displays intramolecular charg... Read More about Trimethyltetrathiafulvalene bearing an N-methylpyridinium substituent: Synthesis, crystal structures, and charge transfer properties.

Neutron reflectivity studies at liquid-liquid interfaces: Methodology and analysis (2001)
Journal Article
Bowers, J., Zarbakhsh, A., Webster, J., Hutchings, L., & Richards, R. (2001). Neutron reflectivity studies at liquid-liquid interfaces: Methodology and analysis. Langmuir, 17(1), 140-145

A protocol is described for measuring and analyzing neutron reflectivity data from a buried oil-water interface. A hexadecane-water interface is considered, and data from the bare interface and from films of polybutadiene-poly(ethylene oxide) Linear... Read More about Neutron reflectivity studies at liquid-liquid interfaces: Methodology and analysis.

Structure of a spread film of a polybutadiene-poly(ethylene oxide) linear diblock copolymer at the air-water interface as determined by neutron reflectometry (2001)
Journal Article
Bowers, J., Zarbakhsh, A., Webster, J., Hutchings, L., & Richards, R. (2001). Structure of a spread film of a polybutadiene-poly(ethylene oxide) linear diblock copolymer at the air-water interface as determined by neutron reflectometry. Langmuir, 17(1), 131-139

The structure of a film of a linear diblock copolymer of polybutadiene-poly(ethylene oxide) with a molecular mass of similar to 60 000 g mol(-1) and containing similar to 50 mol % poly(ethylene oxide) PEO spread on water has been investigated using n... Read More about Structure of a spread film of a polybutadiene-poly(ethylene oxide) linear diblock copolymer at the air-water interface as determined by neutron reflectometry.

Anisotropie dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems. (2000)
Journal Article
Medveď, M., Fowler, P. W., & Hutson, J. M. (2000). Anisotropie dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems. Molecular Physics, 98(7), 453-463. https://doi.org/10.1080/00268970009483311

Quadrupole moment and dipole polarizability tensor components are calculated at the correlated complete-active-space self-consistent-field (CASSCF) and complete-active-space perturbation-theory (CASPT) levels for 2P states of O−, F, Ne+, Na2+, S−, Cl... Read More about Anisotropie dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems..