A ruthenium catalyst linked to a redox-active ruthenium polypyridine for water oxidation.

Chromophore-catalyst assemblies are interesting benchmark molecules for photocatalysis. We have prepared two examples of these assemblies and characterized their behaviour as catalysts for the water oxidation reaction. In the bimetallic complexes [Ru(tpy)(4,4'-X-bpy)(μ-CN)Ru(bda)(DMSO)](PF) (X = -H (1), -OCH (2), tpy = 2,2':6',2''-terpyridine, bpy = 2,2'-bipyridine, Hbda = 2,2'-bipyridine-6,6'-dicarboxylic acid and DMSO = (CH)SO), a Ru(II)-polypiridine chromophore {Ru(tpy)(4,4'-X-bpy)} is linked by a cyanide bridge to a {Ru(bda)} water oxidation catalyst.

Robust Molecular Anodes for Electrocatalytic Water Oxidation Based on Electropolymerized Molecular Cu Complexes.

A multistep synthesis of a new tetra-amidate macrocyclic ligand functionalized with alkyl-thiophene moieties, 15,15-bis(6-(thiophen-3-yl)hexyl)-8,13-dihydro-5H-dibenzo[b,h][1,4,7,10]tetraazacyclotridecine-6,7,14,16(15H,17H)-tetraone, H L, is reported. The reaction of the deprotonated ligand, L , and Cu(II) generates the complex [LCu] , that can be further oxidized to Cu(III) with iodine to generate [LCu] . The H L ligand and their Cu complexes have been thoroughly characterized by analytic and spectroscopic techniques (including X-ray Absorption Spectroscopy, XAS).

Heteroleptic Ruthenium(II) Complexes with 2,2'-Bipyridines Having Carbonitriles as Anchoring Groups for ZnO Surfaces: Syntheses, Physicochemical Properties, and Applications in Organic Solar Cells.

Heteroleptic ruthenium (II) complexes were used for sensitizing ZnO surfaces in organic solar cells (OSCs) as mediators with photoactive layers. The complexes [Ru(4,4'-X-bpy)(Mebpy-CN)] (with X = -CH, -OCH and -N(CH); bpy = 2,2'-bipyridine; Mebpy-CN = 4-methyl-2,2'-bipyridine-4'-carbonitrile) were synthesized and studied by analytical and spectroscopical techniques. Spectroscopic, photophysical, and electrochemical properties were tuned by changing the electron-donating ability of the -X substituents at the 4,4'-positions of the bpy ring and rationalized by quantum mechanical calculations.

Novel Heteroleptic Ruthenium(II) Complexes with 2,2'- Bipyridines Containing a Series of Electron-Donor and Electron-Acceptor Substituents in 4,4'-Positions: Syntheses, Characterization, and Application as Sensitizers for ZnO Nanowire-Based Solar Cells.

A novel series of complexes of the formula [Ru(4,4'-X-bpy)(Mebpy-CN)](PF) (X = -CH, -OCH, -N(CH); Mebpy-CN = 4-methyl-2,2'-bipyridine-4'-carbonitrile) have been synthesized and characterized by spectroscopic, electrochemical, and photophysical techniques. Inclusion of the electron-withdrawing substituent -CN at one bpy ligand and different electron-donor groups -X at the 4,4'-positions of the other two bpy ligands produce a fine tuning of physicochemical properties. Redox potentials, electronic absorption maxima, and emission maxima correlate well with Hammett's σ parameters of X.

A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis.

The Schiff base of the title has been synthesized and its crystal structure determined by single-crystal X-ray diffraction. The compound was characterized by IR, Raman, H NMR, C NMR and electronic absorption spectra. DFT calculations provide the quantum chemical basis for the observed molecular conformation.