Intermolecular interactions of different configurations in the HOClO3···CO and HOClO3···H2O dyad and CO···HOClO3···H2O triad systems have been studied at MP2/6-311++G(2d,2p) computational level. Molecular geometries, binding energies, cooperative energies, many-body interaction energies, and Energy Decomposition Analysis (EDA) were eval...

Enantiomerically pure secondary alcohols are essential compounds in organic synthesis and are used as chiral auxiliaries and synthetic intermediates in the pharmaceutical, agrochemical, and fine chemical industries. One of the attractive and practical approaches to achieving optically pure secondary alcohols is oxidative kinetic resolution of racemic secondary alcohols using chiral Mn(III) sale...

Many bacteria use a type III secretion system (T3SS) to inject effector proteins into host cells. Selection and export of the effectors is controlled by a set of soluble proteins at the cytosolic interface of the membrane spanning type III secretion 'injectisome'. Combining fluorescence microscopy, biochemical interaction studies and fluorescence correlation spectroscopy, we show that in live Y...

Iridium is a relatively rare precious heavy metal, only slightly less dense than osmium. Researchers have long recognized the catalytic properties of square-planar Ir(I) complexes, such as Crabtree's hydrogenation catalyst, an organometallic complex with cyclooctadiene, phosphane, and pyridine ligands. More recently, chemists have developed half-sandwich pseudo-octahedral pentamethylcyclopentad...

The reactions of transition metal salts with monofunctional bidentate thiosemicarbazone (TSCZH) derived from the condensation of 6-nitro-1H-indole 2-3 dione with thiosemicarbazide have been carried out in 1:2 molar ratio. Derivatives of the type [M(TSCZH)2 .xH2O] Cl (where M=Ti (III), V (III), Mn (III), Co (III), Ru (III), Fe (III) Mo O2(V) and Mo O2(VI) have been obtained. All these complexes ...

[Ru(terpy)(bpy)(L)]PF6 complexes, where terpy is 2,2 ́:6′,2′′– terpyridine, bpy is 2,2 ́ bipyridine and L is monoanions of 4 bromophenylcyanamide (4 Brpcyd), 4methoxyphenylcyanamide (4 MeOPcyd), 2, 4 dibromophenylcyanamide (2,4 Br2pcyd), 2,4dimethylphenylcyanamide (2,4 Me2pcyd), 2 methylphenylcyanamide (2 MePcyd), phenylcyanamide (Pcyd) and naphtylcyanamide (ncyd) have been prepared and character...

New complexes of samarium(III), gadolinium(III), and dysprosium(III) with coumarin-3-carboxylic acid (HCCA) were prepared by the reaction of the ligand with respective metal nitrates in ethanol. The structures of the final complexes were determined by means of physicochemical data, elemental analysis, IR and Raman spectra. The metal-ligand binding mode in the new Ln(III) complexes of coumarin-3...