J. Appl. Cryst.の発刊に際して

1. Advantages of Chemical Redox Agents 878 2. Disadvantages of Chemical Redox Agents 879 C. Potentials in Nonaqueous Solvents 879 D. Reversible vs Irreversible ET Reagents 879 E. Categorization of Reagent Strength 881 II. Oxidants 881 A. Inorganic 881 1. Metal and Metal Complex Oxidants 881 2. Main Group Oxidants 887 B. Organic 891 1. Radical Cations 891 2. Carbocations 893 3. Cyanocarbons and Related Electron-Rich Compounds 894

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Chemical Redox Agents for Organometallic Chemistry

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

The development of microgels/nanogels for drug delivery applications

Advances in copper complexes as anticancer agents.

Platination of [3-X-7,8-Ph2-7,8-nido-C2B9H8]2− (X=Et, F): Synthesis and characterisation of slipped and 1,2→1,7 isomerised products

Synthesis, structure, and characterization of chiral ru(ii) aminophosphinephosphinite complexes and their application in asymmetric hydrogenation of alpha -functionalized ketones. x-ray crystal structure of ru(s)-ph,ph-prono p(2-methylallyl)2

Synthesis and characterisation of labelled diphenylcarboranes

A new polymorph of the title compound, C 8 H 16 B 10 , is reported. The carborane icosahedron is relatively undistorted, with the phenyl substituent twisted out of the C2-C1-C ring plane by 18.3(2)°, which is in good agreement with the conformation predicted by molecular-orbital calculations.

A new crystalline form of 1-phenyl-1,2-dicarba-closo-dodecaborane(12)

Mapping the pathway of heteroborane isomerisation : Two parallel 1,2 → 1,7 isomerisations of a crowded molybdacarborane and the isolation of isomerisation intermediates

Georgina M. Rosair

Papers

Platination of [3-X-7,8-Ph2-7,8-nido-C2B9H8]2− (X=Et, F): Synthesis and characterisation of slipped and 1,2→1,7 isomerised products

Synthesis, structure, and characterization of chiral ru(ii) aminophosphinephosphinite complexes and their application in asymmetric hydrogenation of alpha -functionalized ketones. x-ray crystal structure of ru(s)-ph,ph-prono p(2-methylallyl)2

Synthesis and characterisation of labelled diphenylcarboranes

A new crystalline form of 1-phenyl-1,2-dicarba-closo-dodecaborane(12)

Mapping the pathway of heteroborane isomerisation : Two parallel 1,2 → 1,7 isomerisations of a crowded molybdacarborane and the isolation of isomerisation intermediates