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Tetrahedral molecular geometry
About: Tetrahedral molecular geometry is a research topic. Over the lifetime, 1795 publications have been published within this topic receiving 30706 citations.
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TL;DR: In this article, the structure and energy calculations of the zinc and cadmium complexes of the peptide his-cys in their various provable geometries have been carried out using density functional methods.
Abstract: Structure and energy calculations of the zinc and cadmium complexes of the peptide his–cys in their various provable geometries have been carried out using density functional methods (LSDA pBP DN ∗ ). It is shown that, for the same complex geometry, the zinc complexes are more stable than the cadmium complexes and that, for the octahedral and square planar complexes, the cis isomers are favored over the trans isomers. It was found that the hexa-coordinated zinc complex has a distorted octahedral geometry, which, through elongation of the two H 2 O–Zn bonds, tends to adopt a square planar geometry and finally evolve to the preferred tetrahedral geometry. On the other hand, the cadmium complexes tend to stay in the octahedral geometry. These results suggest that the substitution of Zn by Cd as a probe for NMR studies of the Zn coordination environment in metaloproteins should be used with caution.
23 citations
TL;DR: A series of cobalt(II) and copper (II) complexes of (2-acetylpyridine)-(5,6-diphenyl-[1,2,4]triazin-3-yl) hydrazone, APyTHy, L, having the formulae [LMCl2]·nH 2O, [L2Cu(H2O)2](ClO4)2)2 and [L 2M]X2·n H2O (X = OAc or ClO4
Abstract: A series of cobalt(II) and copper(II) complexes of (2-acetylpyridine)-(5,6-diphenyl-[1,2,4]triazin-3-yl) hydrazone, APyTHy, L, having the formulae [LMCl2]·nH2O, [L2Cu(H2O)2](ClO4)2 and [L2M]X2·nH2O (X = ClO4 or OAc; M = Co or Cu and n = 0, 2 or 4) were isolated and characterized by elemental analysis, molar conductance, magnetic moment and IR, electronic and ESR spectral measurements. The IR spectra indicate that APyTHy behaves as a neutral tridentate ligand, coordinating via a triazine-N, azomethine-N and pyridine-N, except for [LCuCl2] and [L2Cu]X2·nH2O (X = OAc or ClO4), where it acts as a bidentate, not using the triazine-N in complexation. The magnetic moment and electronic spectral data suggest a distorted octahedral structure for 1 : 2 Co(II) complexes, a tetrahedral geometry for 1 : 2 Cu(II) complexes and a trigonal bipyramidal structure for [LCu(H2O)2](ClO4)2 and [LMCl2]·nH2O (M = CoII or CuII; n = 0 or 2) complexes. Upon heating the green [LCuCl2]·2H2O, brown square planar [LCuCl2] was produced....
23 citations
23 citations
TL;DR: In this article, the reaction of ZnCl2 with N-alkylaminopyrazole ligands 1-[2-(ethylamino)ethyl]-3,5-dimethyl pyrazole (deae), 1]-2-(tert-butylamino), deat (2)), [ZnCl 2(bdmae) (3), and [ZclCl 4] (4) were determined by X-ray diffraction studies, and these Zn(II) complexes have been characterised by elemental analyses, conductivity measurements and
23 citations
TL;DR: An X-ray crystal structure determination showed the gold(I) complex with four methyldiphenylphosphine ligands to have symmetry with all Au-P bond lengths equal and nearly tetrahedral angles as mentioned in this paper.
Abstract: An X-ray crystal structure determination shows the gold(I) complex with four methyldiphenylphosphine ligands to have symmetry with all Au–P bond lengths equal and nearly tetrahedral angles; further, 31P n.m.r. spectroscopy at –80 °C indicates that the nearly tetrahedral species persists in solution.
23 citations