The reaction mechanism of ketone reduction by short chain dehydrogenase/reductase, (S)-1-phenylethanol dehydrogenase from Aromatoleum aromaticum, was studied with DFT methods using cluster model approach. The characteristics of the hydride transfer process were investigated based on reaction of acetophenone and its eight structural analogues. The results confirmed previously suggested concomita...

The complex [Rh(I(t)Bu)(2)HCl] has been shown to be an active catalyst in the hydrosilylation of carbonyl and imine complexes. This reactivity, combined with the previously reported H/D exchange catalyzed by these complexes allows for a one pot, two step reaction using a single catalyst for both H/D exchange and hydrosilylation. Using triethylsilane, [Rh(I(t)Bu)(2)Cl] catalyst, and D(2) gas, de...

In the title compound, [Cu(NCS)(C3H9PS)] n , the thio-cyanate ions bind the Cu(I) atoms covalently, forming infinite -Cu-SCN-Cu- chains parallel to the a axis. Each Cu(I) atom is also coordinated to a tri-methyl-phosphine sulfide group via a Cu-S bond. Two crystallographically independent chains propagate in opposite directions, and are held together in a ribbon arrangement by long bonds betwee...

The title compound crystallizes in the orthorhombic, noncentrosymmetric space group Pna2(1) with a = 10.241(11), b = 12.903(12), c = 9.312(9) A and with one formula unit per asymmetric unit. The stereochemically comparable torsion angles of the cation of 1 and of acetylcholine chloride are analogous. In the crystal structure the trimethylammonio methyl group is surrounded by three anions in the...

a-Ketoglutarate-dependent enzymes catalyze many important biological oxidation/oxygenation reactions. Iron(IV)–oxo intermediates have been established as key oxidants in these oxidation reactions. While most reported model iron(II)–a-keto acid complexes exhibit stoichiometric reactivity, selective oxidation of substrates with dioxygen catalyzed by biomimetic iron(II)–a-keto acid complexes remai...

Abstract Regioselectivity of visible-light-induced transformations a range (hetero)aryl alkyl-substituted ketones bearing several competitive reactive sites ( ? -carbonyl, benzyl and aromatic ring) with N- bromosuccinimide (NBS) was studied under solvent-free reaction conditions (SFRC) in the absence inert-gas atmosphere, radical initiators catalysts. An 8-W energy-saving household lamp used fo...