Inelastic $J/\psi$ and $\Upsilon$ hadroproduction

We consider the prompt hadroproduction of and the states caused by the fusion of a symmetric colour-octet state, (gg)_8s , and an additional gluon. The cross sections are calculated in leading-order perturbative QCD. We find a considerable enhancement in comparison with previous perturbative QCD predictions. Indeed, the resulting cross sections are found to be consistent with the values measured at the Tevatron and RHIC, without the need to invoke non-perturbative colour-octet type of contributions.Received: 16 October 2004, Revised: 10 November 2004, Published online: 11 January 2005     

Diffractive W + 2 jet production: a backgroundto exclusive $H\to W W$ production at hadron colliders

Central exclusive double-diffractive Higgs-boson production, , is now recognised as an important search scenario for the LHC. We consider the case when the Higgs boson decays to two W bosons, one of which may be off-mass-shell, that subsequently decay to the final state. An important background to this is from the QCD process , where the two gluons are required to be in a J_z = 0, colour-singlet state. We perform an explicit calculation and investigate the salient properties of this potentially important background process. Received: 21 April 2005, Revised: 4 July 2005, Published online: 30 August 2005     

The structures of higher boron halides B8X12(X = F, Cl, Br and I) by gas-phase electron diffraction and ab initio calculations

The structure of B8F12 has been shown by gas electron diffraction and computational methods (up to MP2/6-31+G*) to have the same highly asymmetric form observed in crystalline phases. The structure can be regarded as derived from a central B2 group, bridged by two BF2 groups to give a central B4 core that is folded, not planar, and with a very short bond [164.3 pm calculated, 164.2(19) pm experimental] along the fold line. There are also four terminal BF2 groups. One of the other four bonds in the core is consistently 20-30 pm longer than the others. This asymmetry has been attributed to many intra-molecular B...F interactions, particularly those between core boron atoms and fluorines of the terminal BF2 groups. Calculations for the chloro analogue lead to a structure similar to that for B8F12, but with the long core bond extended so that one of the bridging BCl2 groups may now be regarded as terminal. With bromine as the halogen the structure changes again, with one bromine atom taking up a bridging position. With iodine, this process continues further, and there are three bridging iodine atoms. However, in this case this is not the lowest energy structure, and instead a loosely associated dimer of B4I6 is preferred. In all these cases, and particularly with the heavier halogens, there are huge differences between the results obtained with different computational methods.     

Precision model independent determination of |Vub| from B --> pilnu

A precision method for determining |V(ub)| using the full range in q(2) of B --> pilnu data is presented. At large q(2) the form factor is taken from unquenched lattice QCD, at q(2) = 0 we impose a model independent constraint obtained from B --> pipi using the soft-collinear effective theory, and the shape is constrained using QCD dispersion relations. We find |V(ub)| = (3.54 +/- 0.170 +/- 0.44) x 10(-3). With 5% experimental error and 12% theory error, this is competitive with inclusive methods. Theory error is dominated by the input points, with negligible uncertainty from the dispersion relations.     

The structural and spectroscopic characterisation of three actinyl complexes with coordinated and uncoordinated perrhenate: [UO2(ReO4)2(TPPO)3], [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2 and [NpO2(TPPO)4][ReO4

The first structural characterization of an actinide complex with coordinated perrhenate is reported, [UO2(ReO4)2(TPPO)3] (1). In this [UO2]2+ complex two [ReO4]- anions and three TPPO (triphenylphosphine oxide) P=O donor ligands are coordinated in the equatorial plane in a cisoid arrangement. This bonding arrangement, and apparent strain observed in the equatorially bonded ligands, is attributed to the solid state packing in adjacent molecules in which hydrophobic TPPO ligands form an effective "shell" around a hydrophilic core of two UO2(ReO4)2 moieties. Solid state vibrational spectroscopy (infrared and Raman), 31P CP MAS NMR and elemental analysis are also consistent with the formula of 1. Solution state vibrational spectroscopy and 31P NMR measurements in EtOH indicate the lability of the TPPO and [ReO4]- groups. The photolytic generation of peroxide in EtOH solutions of 1 leads to the formation of trace quantities of [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2, 2, in which the coordinated [ReO4]- groups of 1 have been displaced by bridging O2(2-), derived from atmospheric O2. Finally, attempts to synthesise a [NpO2]+ analogue of have resulted only in the formation of [NpO2(TPPO)4][ReO4], 3, in which [ReO4]- acts solely as a counter anion. From these results it can be concluded that [ReO4]- will bond to [UO2]2+, but will be readily displaced by a more strongly coordinating ligand (e.g. peroxide) and will not coordinate to an actinyl cation with a lower charge, [NpO2]+, under the same reaction conditions.     

Dyad beads and the combinatorial discovery of catalysts

Dyad beads, bearing both a substrate and a catalyst, were prepared to enable direct split and mix bead based screening for catalysis.     

The preparation of hexasilsesquioxane (T6) cages by "non aqueous" hydrolysis of trichlorosilanes

Hexasilsesquioxane cages (T6) have been prepared from a range of alkyl and aryl trichlorosilanes using a "non aqueous" hydrolysis with dimethyl sulfoxide.     

Uncertainties of predictions from parton distributions I: Experimental errors

We determine the uncertainties on observables arising from the errors on the experimental data that are fitted in the global MRST2001 parton analysis. By diagonalizing the error matrix we produce sets of partons suitable for use within the framework of linear propagation of errors, which is the most convenient method for calculating the uncertainties. Despite the potential limitations of this approach we find that it can be made to work well in practice. This is confirmed by our alternative approach of using the more rigorous Lagrange multiplier method to determine the errors on physical quantities directly. As particular examples we determine the uncertainties on the predictions of the charged-current deep-inelastic structure functions, on the cross-sections for W production and for Higgs boson production via gluon-gluon fusion at the Tevatron and the LHC, on the ratio of W^- to W⁺ production at the LHC and on the moments of the non-singlet quark distributions. We discuss the corresponding uncertainties on the parton distributions in the relevant x,Q² domains. Finally, we briefly look at uncertainties related to the fit procedure, stressing their importance and using , and extractions of as examples. As a by-product of this last point we present a slightly updated set of parton distributions, MRST2002. Received: 13 November 2002 / Published online: 5 May 2003 RID="a" ID="a" Royal Society University Research Fellow