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Octahedral molecular geometry

About: Octahedral molecular geometry is a(n) research topic. Over the lifetime, 5986 publication(s) have been published within this topic receiving 103241 citation(s). more

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Kazuo Nakamoto1Institutions (1)
01 Jan 1978-
Abstract: Inorganic molecules (ions) and ligands are classified into diatomic, triatomic, four-atomic, five-atomic, six-atomic, and seven-atomic types, and their normal modes of vibration are illustrated and the corresponding vibrational frequencies are listed for each type. Molecules of other types are grouped into compounds of boron, carbon, silicon, nitrogen, phosphorus, and sulfur, and the structures and infrared (IR)/Raman spectra of select examples are shown for each group. Group frequency charts including band assignments are shown for phosphorus and sulfur compounds. Other group frequency charts include hydrogen stretching frequencies, halogen stretching frequencies, oxygen stretching and bending frequencies, inorganic ions, and metal complexes containing simple coordinating ligands. Keywords: inorganic compounds; coordination compounds; diatomic molecules (ligands); triatomic molecules (ligands); four-atomic molecules (ligands); five-atomic molecules (ligands); six-atomic molecules (ligands); seven-atomic molecules (ligands); boron compounds; carbon compounds; silicon compounds; nitrogen compounds; phosphorus compounds; sulfur compounds; group frequency charts more

15,594 citations

Journal ArticleDOI
29 May 2006-Polyhedron
Abstract: Mono-, tri- and dinuclear neutral complexes [Ni(HL)(L)] · (ClO4) · 0.16(H2O) (1), [ZnLZn(OOCCH3)4ZnL] (2) and [Cd2L2(OCH3CO)2(H2O)2] (3) have been obtained from the reaction between the potentially tridentate N,N,O-donor Schiff base ligand HL, where HL = N-2-pyridylmethylidene-2-hydroxy-phenylamine with nickel, zinc or cadmium salts, respectively. The ligand has been prepared by 1:1 condensation of pyridine-2-carboxaldehyde and 2-aminophenol. The ligand and metal complexes were characterised by elemental analysis, spectroscopic studies such as IR, UV–Vis, 1H NMR, fluorescence, electrochemical and magnetic susceptibility measurement. The structures of the three complexes have been determined by single-crystal X-ray diffraction. The nickel ions in 1 show a distorted mer-octahedral geometry. In 2, the terminal zinc ions have coordination geometry midway between square pyramidal and trigonal bipyramidal, whilst the central zinc ion has slightly distorted octahedral geometry. The trinuclear unit is held together by bridging deprotonated phenolic oxygen atoms from the Schiff base and acetate groups. In 3, two monocapped-octahedron cadmium ions are held together by μ2-diphenoxo bridges. Among the three synthesised complexes, 1 is nonfluorescent while the other two can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. more

309 citations

Journal ArticleDOI
TL;DR: Investigation of the antioxidative properties showed that the polymeric Co(II) complex has a strong radical scavenging potency against hydroxyl radicals, 2,2-diphenyl-1-picrylhydrazyl radicals), nitric oxide and superoxide anion radicals. more

Abstract: A novel water soluble ligand-bridged cobalt(II) coordination polymer has been synthesized by reacting the new ligand, 2-oxo-1,2-dihydroquinoline-3-carbaldehyde (isonicotinic) hydrazone (H2L) with Co(NO3)2·6H2O and characterized by spectral, analytical and structural methods. Single crystal X-ray diffraction studies revealed that the Co(II) complex, {[Co(H2L)(H2O)2](NO3)2·3H2O}n has a slightly distorted octahedral geometry around the central Co(II) ion; the ligand is coordinated through the ONO donor atoms to one Co(II) metal center and bridged through the pyridine nitrogen atom to another similar Co(II) center so as to form a one-dimensional polymeric unit. The interaction of the ligand and the complex with calf thymus DNA (CT-DNA) has been explored by absorption and emission titration methods, which revealed that the compounds could interact with CT-DNA through intercalation. The interactions of the compounds with bovine serum albumin (BSA) were also investigated using UV–visible, fluorescence and synchronous fluorescence spectroscopic methods. The results indicated that the complex exhibited a strong binding to BSA over the ligand. Investigation of the antioxidative properties showed that the polymeric Co(II) complex has a strong radical scavenging potency against hydroxyl radicals, 2,2-diphenyl-1-picrylhydrazyl radicals, nitric oxide and superoxide anion radicals. Further, the cytotoxic effect of the compounds examined on cancerous cell lines, such as human cervical cancer cells (HeLa), human laryngeal epithelial carcinoma cells (HEp-2), human liver carcinoma cells (Hep G2), human skin cancer cells (A431) and non-cancerous NIH 3T3 mouse embryonic fibroblasts cell lines showed that the complex exhibited substantial anticancer activity. more

281 citations

Journal ArticleDOI
01 Feb 1995-Biochemistry
TL;DR: A reaction scheme in which the ligated solvent acts as a proton acceptor in the first half-reaction [formation of Fe(II) and oxygen] is consistent with the pH dependence of the kinetic parameters and spectroscopic properties of Fe superoxide dismutase. more

Abstract: The crystal structure of dimeric Fe(II1) superoxide dismutase (SOD) from Escherichia coli (3006 protein atoms, 2 irons, and 28 1 solvents) has been refined to an R of 0.184 using all observed data between 40.0 and 1.85 8, (34 879 reflections). Features of this structure are compared with the refined structure of MnSOD from Thermus thermophilus. The coordination geometry at the Fe site is distorted trigonal bipyramidal, with axial ligands His26 and solvent (proposed to be OH-), and in-plane ligands His73, Asp156, and Hisl6O. Reduction of crystals to the Fe(I1) state does not result in significant changes in metal-ligand geometry (R = 0.188 for data between 40.0 and 1.80 A). The arrangement of iron ligands in Fe(I1) and Fe(II1)SOD closely matches the Mn coordination found in MnSOD from T. thermophilus (Ludwig, M. L., Metzger, A. L., Pattridge, K. A., & Stallings, W. C. (1991) J. Mol. Biol. 219, 335-3581. Structures of the Fe(II1) azide (40.0-1.8 A, R = 0.186) and Mn(II1) azide (20.0-1.8 A, R = 0.179) complexes, reported here, reveal azide bound as a sixth ligand with distorted octahedral geometry at the metal; the in-plane ligand-Fe-ligand and ligand-Mn-ligand angles change by 20-30" to coordinate azide as a sixth ligand. However, the positions of the distal azide nitrogens are different in the FeSOD and MnSOD complexes. The geometries of the Fe(III), Fe(II), and Fe(III)-azide species suggest a reaction mechanism for superoxide dismutation in which the metal alternates between five- and six-coordination. A reaction scheme in which the ligated solvent acts as a proton acceptor in the first half-reaction (formation of Fe(I1) and oxygen) is consistent with the pH dependence of the kinetic parameters and spectroscopic properties of Fe superoxide dismutase. more

262 citations

Journal ArticleDOI
Xinli Liu1, Xiaomin Shang1, Tao Tang1, Ning-Hai Hu1  +4 moreInstitutions (1)
14 Apr 2007-Organometallics
Abstract: Alkane elimination reactions of amino-amino-bis(phenols) H2L1-4, Salan H2L5, and methoxy-beta-diimines HL6,7 with lanthanide tris(alkyl) s, Ln(CH2SiMe3)(3)(THF)(2) (Ln = Y, Lu), respectively, afforded a series of lanthanide alkyl complexes 1-8 with the release of tetramethylsilane. Complexes 1-6 are THF-solvated mono( alkyl) s stabilized by O, N, N, O-tetradentate ligands. Complexes 1-3 and 5 adopt twisted octahedral geometry, whereas 4 contains a tetragonal bipyramidal core. Bearing a monoanionic moiety L-6 (L-7), complex 7 ( 8) is a THF-free bis(alkyl). In complex 7, the O, N, N-tridentate ligand combined with two alkyl species forms a tetrahedral coordination core. Complexes 1, 2, and 3 displayed modest activity but high stereoselectivity for the polymerization of rac-lactide to give heterotactic polylactide with the racemic enchainment of monomer units P-r ranging from 0.95 to 0.99, the highest value reached to date. Complex 5 exhibited almost the same level of activity albeit with relatively low selectivity. In contrast, dramatic decreases in activity and stereoselectivity were found for complex 4. The Salan yttrium alkyl complex 6 was active but nonselective. Bis(alkyl) complexes 7 and 8 were more active than 1-3 toward polymerization of rac-LA, however, to afford atactic polylactides due to di-active sites. The ligand framework, especially the "bridge" between the two nitrogen atoms, played a significant role in governing the selectivity of the corresponding complexes via changing the geometry of the metal center. more

250 citations

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