Density functional calculations with the B3PW91 functional have been carried out on the TpRh(CNMe) species [Tp = HB(pyrazolyl)(3)] as a model for Tp'Rh(CNCH(2)CMe(3)) [Tp' = HB(3,5-dimethylpyrazolyl)(3)] in interaction with propane. Two sigma complexes have been found as minima coordinated through either a methyl or a methylene C H bond, the former being more stable. The approach of the alkane ...

A dinucleating macrocycle, H2PIM, containing phenoxylimine metal-binding units has been prepared. Reaction of H2PIM with [Fe2(Mes)4] (Mes = 2,4,6-trimethylphenyl) and sterically hindered carboxylic acids, Ph3CCO2H or ArCO2H (2,6-bis(p-tolyl)benzoic acid), afforded complexes [Fe2(PIM)(Ph3CCO2)2] (1) and [Fe2(PIM)(ArCO2)2] (2), respectively. X-ray diffraction studies revealed that these diiron(II...

Reaction of Fe3(CO)12 with 1,2-dithiolene HSC6H2Cl2SH affords a mixture of complexes [Fe2(CO)6(μ-SC6H2Cl2S)] 1, [Fe2(SC6H2Cl2S)4] 2 and [Fe3(CO)7(μ3-SC6H2Cl2S)2] 3. In the course of the reaction the trimetallic cluster 3 is first formed and then converted into the known dinuclear compound 1 to afford finally the neutral diiron tetrakis(dithiolato) derivative 2. Compounds 2 and 3 have been studi...

Studies were carried out to determine the actions of and interactions between ascorbate, NADPH, Fe2+, and Fe3+ on lipid peroxidation in adrenal and testicular microsomes. Ascorbate-induced malonaldehyde production was maximal in adrenal and testicular microsomes at an ascorbate concentration of 1 X 10(-4)M. Fe2+, at levels between 10(-6) and 10(-3)M, produced concentration-dependent increases i...

In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

a graphene oxide-terpyridine conjugate (gotc) based colorimetric and fluorescent nano-chemosensor was synthesized. it showed high selectivity and sensitivity for fe2+ and fe3+ ions in neutral aqueous solution over other metal ions such as li+, na+, ba2+, ca2+, al3+, cd2+, co2+, cu2+, hg2+, mn2+, ni2+, pb2+, zn2+, cr3+ and ag+. in absorption spectra, upon addition of fe2+ or fe3+, the sensor dis...

DFT investigations of the redox transmetallation reaction of the diorganomercurial (Hg(C6F5)2) with Yb metal, yielding Yb(C6F5)2, allowed us to define a very low energy reaction mechanism. This involves formation of a metal-metal bonded, formally Yb(I)-Hg(I), intermediate valence complex, (C6F5)Yb-Hg(C6F5). The subsequent reactivity of the divalent ytterbium complex with pyrazole was also compu...

A new pyridine-pyrazole N-N ligand has been conveniently synthesized and characterized by ¹H-, ¹³C-NMR, IR spectroscopies, HRMS and X-ray single-crystal crystallography analyses. The ligand adds to palladium(II) under basic conditions to give high yields of an air-stable and water-soluble complex that was fully characterized by NMR and HRMS. The complex was investigated as a catalyst for the Su...

Aromatic organic heterocycle containing pyrimidine scaffolds possesses two nitrogen atoms of Five-membered ring. These Pyrazole skeletons comprise various ranges of pharmacological activities such as analgesic, antipyretic, anticancer, antiviral, anti-inflammatory, antioxidants, antimicrobial, anti-diabetic, anticonvulsant, ant arrhythmic activities. Pyrazole is a multipurpose lead compound dev...

In the title compound, C(26)H(20)BN(3)O, the B atom has tetra-hedral geometry and is linked to two phenyl rings, the O atom of the hy-droxy-pyrazole ring and the N atom of the pyridinyl ring. A six-membered BOCNCN ring forms by coordination of the B atom and the pyridinyl N atom. The BOCNCN ring has an envelope conformation [dihedral angle = 36.7 (1)° between the planar ring atoms and the flap]...