Conformers of [M(ABC)6] complex have been enumerated on the basis of computational group theory, where M is the central metal, and ABC is the ligand, bound to M through A. Based on the 16 conformers of the M(AB)6 core unit, 7173 conformers have been found for the [M(ABC)6] complex, which are assigned to nine point groups, 1 D3d, 4 D3, 4 S6, 5 C2h, 7 C3, 182 C2, 15 Cs, 23 Ci, and 6932 C1.

a binuclear macrocyclic ligand containing dissimilar n(amine)2o2 and n(imine)2o2 coordination sites sharing two phenolic oxygen atoms, was prepared by cyclic condensation of dialdehyde precursor l1h2 with 1,3-diaminopropane. the ligand includes two propionitrile pendant arms on the amine nitrogen atoms. the homobimetallic complex [znl2zn(oac)]pf6 was synthesized by one step procedure. heterobim...

the antidiuretic effect of arginine vasopressin (avp) is mediated by the vasopressin v2 receptor. the docking study of avp as a ligand to v2 receptor helps in identifying important amino acid residues that might be involved in avp binding for predicting the lowest free energy state of the protein complex. whereas previous researchers were not able to detect the exact site of the ligand-receptor...

The structure-property relationship study of a series of cationic Ir(III) complexes in the form of [Ir(C^N)2(dtBubpy)]PF6 [where dtBubpy = 4,4'-di-tert-butyl-2,2'-bipyridine and C^N = cyclometallating ligand bearing an electron-withdrawing group (EWG) at C4 of the phenyl substituent, i.e., -CF3 (1), -OCF3 (2), -SCF3 (3), -SO2CF3 (4)] has been investigated. The physical and optoelectronic proper...

The kinetics and mechanism of the redox reaction between [Fe(II)(CN)(6)](4-) and the macrocyclic ligand complex [CrClL(15)](2+) (L(15) = 6-methyl-1,4,8,12-tetraazacyclopentadecane-6-amine) has been studied at different pH values. In acidic solution, the expected redox process occurs with no formation of any of the possible Cr(III)/Fe(II) mixed valence complexes, as those seen for the Co(III) sp...

the zinc(ii) complex [zn2(dmdtc)2(μ-dmdtc)2] has been synthesized directly from thiram ligand, containing a disulfide bond {dmdtc = n,n-dimethyldithiocarbamate; thiram = n,n-tetramethylthiuram disulfide}, and characterized by elemental analysis and spectroscopic methods. surprisingly thiram, undergoes a reductive disulfide bond scission upon reaction with zn2+ in methanolic media to give the [z...

the zinc(ii) complex [zn2(dmdtc)2(μ-dmdtc)2] has been synthesized directly from thiram ligand, containing a disulfide bond {dmdtc = n,n-dimethyldithiocarbamate; thiram = n,n-tetramethylthiuram disulfide}, and characterized by elemental analysis and spectroscopic methods. surprisingly thiram, undergoes a reductive disulfide bond scission upon reaction with zn2+ in methanolic media to give the [z...