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Journal articles on the topic 'Octahedral configuration'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Wang, Xiaoli, Yan Li, and Hejing Wang. "Structural Characterization of Octahedral Sheet in Dioctahedral Smectites by Thermal Analysis." Minerals 10, no. 4 (2020): 347. http://dx.doi.org/10.3390/min10040347.

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The structures of octahedral sheets of dioctahedral phyllosilicates show cis-vacant (cv) and trans-vacant (tv) configurations due to the different distributions of the octahedral cations over cis- and trans-sites. On the basis of the different dehydroxylation temperatures, a thermal analysis is an effective method used to identify the cv and tv configurations of an octahedral sheet in dioctahedral smectites. The proportions of cv and tv configurations were determined by fitting the derivative thermogravimetry (DTG) curves. A wide range of cv and tv proportions were detected in the samples. The

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2

Tran, Dung T., and Roy L. Johnston. "Study of 40-atom Pt–Au clusters using a combined empirical potential-density functional approach." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 467, no. 2131 (2011): 2004–19. http://dx.doi.org/10.1098/rspa.2010.0562.

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This work is a theoretical study of 40-atom Pt–Au clusters which are of interest owing to the electronic shell closure of 40-atom noble metal clusters and the current focus on bimetallic Pt–Au clusters as catalysts. The methodology is a complementary combination of a genetic algorithm search for an empirical potential and density functional theory (DFT) reoptimization. Structures based on truncated-octahedral, icosahedral, decahedral and fivefold pancake geometries are found to be energetically favoured for different composition regions at the empirical-potential level and this is partially co

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3

ASHOK, KUMAR SINGH, CHANDRA SUDESHNA, and SINGH RANDHIR. "Synthesis and Characterisation of Macrocyclic Complexes of Nickel(II),Cobalt(II) and Copper(II) containing a Tetradentate-N6 Macrocyclic Ligand." Journal of Indian Chemical Society Vol. 74, Jan 1997 (1997): 5–7. https://doi.org/10.5281/zenodo.5870813.

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<strong>Department of Chemistry, University of Roorkee Roorkee-247 667 </strong> <strong>Department of Chemistry, Gurukula Kangri University Hardwar-249 404</strong> <em><strong>Manuscript received 30 November 1994 received April 1995, accepted 6 July 1995</strong></em> A16-membered tetradentate N<sub>6</sub>-macrocy elie ligand and its Ni<sup>II</sup> Cu<sup>II</sup> and Cu<sup>II</sup>complexes have been prepared by template method. These complexes are found to have a distorted octahedral configuration. No evidence is found for the participation of nitrogen atoms of 

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4

Nguyen-Manh, Duc. "Ab-Initio Modelling of Point Defect-Impurity Interaction in Tungsten and other BCC Transition Metals." Advanced Materials Research 59 (December 2008): 253–56. http://dx.doi.org/10.4028/www.scientific.net/amr.59.253.

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Ab-initio calculations have been performed to investigate systematically defect-impurity interaction in Tungsten and other bcc transition metals. It is found that the most stable configuration of C and N atoms is the octahedral interstitial site whereas O and H atoms are located in the tetrahedral configuration. For the particular case of bcc-W, the binding energies formed by the carbon and nitrogen atoms located at octahedral sites, and mono-vacancy on a nearest neighbor site are very large, 1.39 eV and 1.91 eV, respectively. Implication of these results of diffusion of point defects in tungs

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5

Jun, Li, T. H. Jacka, and W. F. Budd. "Deformation rates in combined compression and shear for ice which is initially isotropic and after the development of strong anisotropy." Annals of Glaciology 23 (1996): 247–52. http://dx.doi.org/10.3189/s0260305500013501.

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Laboratory-prepared fine-grained, initially isotropic polycrystalline ice samples were deformed under conditions of simple shear with simultaneous uniaxial compression at a constant temperature of −2.0°C. The aim was to investigate the effects of stress configuration on the flow rate of initially isotropic ice and on ice with subsequent stress and strain-induced anisotropy. Experiments were carried out for various combinations of shear and compression with shear stress ranging from 0 to 0.49 MPa and compressive stress ranging from 0 to 0.98 MPa, but such that for every experiment the octahedra

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6

Jun, Li, T. H. Jacka, and W. F. Budd. "Deformation rates in combined compression and shear for ice which is initially isotropic and after the development of strong anisotropy." Annals of Glaciology 23 (1996): 247–52. http://dx.doi.org/10.1017/s0260305500013501.

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Laboratory-prepared fine-grained, initially isotropic polycrystalline ice samples were deformed under conditions of simple shear with simultaneous uniaxial compression at a constant temperature of −2.0°C. The aim was to investigate the effects of stress configuration on the flow rate of initially isotropic ice and on ice with subsequent stress and strain-induced anisotropy. Experiments were carried out for various combinations of shear and compression with shear stress ranging from 0 to 0.49 MPa and compressive stress ranging from 0 to 0.98 MPa, but such that for every experiment the octahedra

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7

Sergienko, V. S., and A. V. Churakov. "Structural Features of d2-Rhenium(V) Monomeric Octahedral Dioxocomplexes with Tridentate-Chelate, Monodentate Ligands [ReO2(Ltri)(Lmono)], and Tetradentate-Chelate Ligands [ReO2(Ltetra)] (A Review)." Журнал общей химии 94, no. 2 (2024): 275–84. http://dx.doi.org/10.31857/s0044460x24020135.

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Molecular geometry features of 21 structurally characterized mononuclear octahedral dioxocomplexes of d2-rhenium(V) with mono-, tri- and tetradentate ligands [ReO2(Ltri)(Lmono)], [ReO2(Ltetra)] are discussed. In eleven cases, multiple-bonded Ooxo ligands are arranged in trans-positions to each other with OoxoReOoxo angles ranging within 172.9–180°. In ten structures, the ReO2 unit adopts cis-configuration with OoxoReOoxo angles vary within 106.7–124.8°. Re atoms possess either trans-octahedral coordination environment ReOoxo2X4 (X = N, P, As, O) or cis-structure ReOoxo2N2O2. Bonds Re=Ooxo in m

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8

Traustason, H., S. M. Aksenov, and P. C. Burns. "The lithium–water configuration encapsulated by uranyl peroxide cage cluster U24." CrystEngComm 21, no. 3 (2019): 390–93. http://dx.doi.org/10.1039/c8ce01774c.

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Lithium cations encapsulated within the U<sub>24</sub> nanocapsule are in square pyramidal and octahedral coordination environments imposed by the topology of the cluster, whereas lithium outside the cages are in a tetrahedral coordination environment.

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9

You, Fengguang, Pifu Gong, Fei Liang, et al. "M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides." CrystEngComm 21, no. 15 (2019): 2485–89. http://dx.doi.org/10.1039/c9ce00279k.

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10

MATSUSHITA, TOMOHIRA, MASAICHIRO MIZUMAKI, NAOSHI IKEDA, et al. "X-RAY ABSORPTION SPECTROSCOPY IN NaCo2O4, LaCoO3andSrCoO3." Surface Review and Letters 09, no. 02 (2002): 1327–31. http://dx.doi.org/10.1142/s0218625x02003755.

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We have performed Co 2p X-ray absorption spectroscopy (XAS) on a mixed valence hexagonal layered system NaCo 2 O 4, which shows large thermopower and metallic conductivity. We also measured XAS for SrCoO 3 and LaCoO 3 as examples of typical Co ionic states. The Co ions of the last two materials are octahedrally surrounded by oxygen atoms. A Co atom in NaCo 2 O 4 also has octahedral coordination with oxygen atoms but it is distorted slightly. The Co ions in SrCoO 3 and LaCoO 3 are in the d5 and d6 configuration respectively. The spectrum of NaCo 2 O 4 resembles that of LaCoO 3 rather than that

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11

Yu, Bi-Bo, Xiang-Gao Meng, and Zhan-Ru Liao. "[Bis(1H-benzimidazol-2-ylmethyl)amine]dichloro(ethanol)manganese(II)." Acta Crystallographica Section E Structure Reports Online 62, no. 7 (2006): m1519—m1521. http://dx.doi.org/10.1107/s1600536806019830.

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In the molecular structure of the title compound, [MnCl2(C16H15N5)(C2H6O)], the Mn cation is in a distorted octahedral configuration. A three-dimensional framework structure is formed by means of N—H...Cl and O—H...Cl hydrogen bonds.

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12

Su, Jing, Lian Duan, and Wenjun Zheng. "Chromium(III) complexes with 1,2,4-diazaphospholide and 2,6-bis(N-1,2,4-diazaphosphol-1-yl) pyridine ligands: synthesis, X-ray structural characterization, EPR spectroscopy analysis, and magnetic susceptibility studies." Zeitschrift für Naturforschung B 71, no. 7 (2016): 795–802. http://dx.doi.org/10.1515/znb-2015-0216.

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AbstractThree chromium(III) 1,2,4-diazaphospholide complexes were prepared: 3,5-di-tert-butyl-1,2,4-diazaphospholide chromium(III) dichloride [(η2-3,5-tBu2dp)Cr(THF)2Cl2] (1), 3,5-di-phenyl-1,2,4-diazaphospholide chromium(III) dichloride [(η2-3,5-Ph2dp)Cr(THF)2Cl2] (2), and 2,6-bis(N-1,2,4-diazaphosphol-1-yl)pyridine chromium(III) trichloride {[2,6-bis(N-1,2,4-diazaphosphol-1-yl)pyridine]CrCl3} (3). X-ray diffraction analysis has shown that these six-coordinate complexes each have a pseudo-octahedral configuration. Electron paramagnetic resonance (EPR) spectroscopy data for complex 1 for the p

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13

Domasevitch, Kostiantyn V., та Ganna A. Senchyk. "Tris[triphenylantimony(V)]hexa(μ-oxido)tellurium(VI): a molecular complex with six Te—O—Sb bridges". Acta Crystallographica Section E Crystallographic Communications 77, № 12 (2021): 1229–33. http://dx.doi.org/10.1107/s2056989021011294.

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In the structure of the title compound [systematic name hexa-μ-oxido-1:2κ4 O:O;1:3κ4 O:O;1:4κ4 O:O-nonaphenyl-2κ3 C,3κ3 C,4κ3 C-triantimony(V)tellurium(VI)], [Sb3Te(C6H5)9O6], the hexaoxidotellurate(VI) ion is coordinated to three SbV ions via pairs of cis-positioned O atoms to form a discrete molecular unit. The TeVI and SbV central ions exhibit distorted octahedral [TeO6] and distorted trigonal–bipyramidal [SbC3O2] coordination geometries, respectively. The linking of these polyhedra, by sharing the dioxide edges, results in the Te-based octahedron having a mer-configuration. The packing of

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14

Il’in, E. G., A. S. Parshakov, V. I. Privalov, A. V. Churakov, G. V. Bodrin та E. I. Goryunov. "Stereochemistry of the cis-Tetrafluoro Complexes of Titanium with 1-Ac-2-[Ph2P(O)]-Cyclohexane (1RS,2SR) Stereoisomers in СН2Сl2". Координационная химия 50, № 2 (2024): 92–99. http://dx.doi.org/10.31857/s0132344x24020032.

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The monodentate phosphoryl-containing ligand 1-Ac-2-[Ph2P(O)]-cyclohexane (L) bearing two asymmetric carbon atoms is synthesized. The study of its crystal structure shows that L is a racemic mixture of (1R,2S) and (1S,2R) stereoisomers. The complex formation of L with TiF4 in СН2Сl2 is studied by 19F{1Н} and 31Р{1Н} NMR spectroscopy. The compositions of the complexes formed in the solution are determined. Racemic and meso-diastereomers of the octahedral complex cis-TiF4L2 are formed in the solution as found by an analysis of the 19F and 31Р NMR spectra taking into account the concept of hetero

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15

Rahut, Sibsankar, Awinash Bharti, and Jayanta Kumar Basu. "Optical and electronic configuration of a novel semiconductor-silver nitroprusside for enhanced electrocatalytic and photocatalytic performance." Catalysis Science & Technology 7, no. 24 (2017): 6092–100. http://dx.doi.org/10.1039/c7cy01940h.

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16

Zheng, Wen-Chen, and Shao-Yi Wu. "Explanation of the g-factors and Hyperfine Structure Constants of Co2+ in Tetragonal K2ZnF4." Zeitschrift für Naturforschung A 55, no. 5 (2000): 539–44. http://dx.doi.org/10.1515/zna-2000-0510.

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Abstract The formulas of the g-factors gII , g┴ and the hyperfine structure constants AII.A┴ for 3d7 ions in tetragonal octahedral crystals are established from a cluster approach. Differing from previous formulas, in these formulas the role of configuration interaction (CI)-and covalency (CO)-effects is considered, and the parameters related to both effects are obtained from the optical spectra and the structural parameters of the studied crystal. From these formulas, the EPR parameters gi and Ai for K2 ZnF4 :Co2+ are calculated. The results show good agreement with the observed values. The c

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17

Gao, Bo, Xiang Li, Ranlong Duan та Xuan Pang. "Titanium complexes with octahedral geometry chelated by salen ligands adopting β-cis configuration for the ring-opening polymerisation of lactide". New Journal of Chemistry 39, № 4 (2015): 2404–8. http://dx.doi.org/10.1039/c4nj02266a.

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18

Gao, Botao, Hui Liu, Zhengyang Zhou, et al. "An intriguing canting dipole configuration and its evolution under an electric field in La-doped Pb(Zr,Sn,Ti)O3 perovskites." Microstructures 2, no. 3 (2022): 2022010. http://dx.doi.org/10.20517/microstructures.2022.03.

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Despite the fact that electric dipole ordering plays a key role in the unique physical properties of dielectric materials, electric dipole configurations mostly appear simply as either parallel or antiparallel. Here, we report a canting electric dipole configuration in La-doped Pb(Zr,Sn,Ti)O3 perovskites based on advanced neutron, synchrotron X-ray and three-dimensional electron diffraction techniques. It is revealed that, arising from the coupling between the atomic displacement and oxygen octahedral tilting, this unique electric dipole configuration displays a canting arrangement aligned in

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19

Clendening, Reese A., Matthias Zeller, and Tong Ren. "Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes." Acta Crystallographica Section C Structural Chemistry 75, no. 11 (2019): 1509–16. http://dx.doi.org/10.1107/s2053229619013925.

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Reported in this contribution are the synthesis and crystal structures of two new FeIII complexes of 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (HMC), namely, dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) chloride, [FeCl2(C16H36N4)]Cl or cis-[FeCl2(rac-HMC)]Cl (1), and dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) tetrachloridoferrate, [FeCl2(C16H36N4)][FeCl4] or trans-[FeCl2(meso-HMC)][FeCl4] (2). Single-crystal X-ray diffraction studies revealed that both 1 and 2 adopt a pseudo-octahedral geometry, where t

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20

F. Hassan, Fatima. "Synthesis, Spectroscopic Studies of Some Transition Metal Complexes of Schiff Bases Derived from Diamine Compounds." University of Thi-Qar Journal of Science 5, no. 2 (2015): 97–103. http://dx.doi.org/10.32792/utq/utjsci/v5i2.119.

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The present work include preparation of three ligands (Schiff base) by condensation of (Phthaldialdehyde) with1,3-diamino-2-propanol) to give ligands (L) L: (1Z,6Z)-4,5-dihydro -3H-2,6-benzodiazonin-4-ol To characterize the structure of prepared ligands and their complexes, elemental analysis (C.H.N),Infrared Spectroscopy (IR), Nuclear Magnetic Resonance Spectroscopy( 1 H-NMR),Mass Spectra and Molar conductivityechniques were applied . The results showed that:- The complexes of [Co(III) and Cr(III)] for ligand have shown octahedral configuration.- Complexes of [ Ni(II)] with ligands have shown

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21

Shahzadi, Saira, Saqib Ali та Mohammed Fettouhi. "Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ2 S,S′)tin(IV)". Acta Crystallographica Section E Structure Reports Online 62, № 5 (2006): m1178—m1180. http://dx.doi.org/10.1107/s1600536806014929.

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The title compound, [Sn(CH3)2(C7H12NS2)2], comprises SnIV coordinated by two 4-methylpiperidinedithiocarboxylate ligands and two methyl groups. The coordination geometry around Sn is distorted octahedral, with the methyl groups adopting an arrangement intermediate between a cis and trans configuration. There are two independent complexes in the asymmetric unit, with closely comparable geometries.

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22

BIPIN, B. MAHAPATRA, and K. KAR SUKHENDU. "Polymetallic Complexes. Part-XXXI. Cornplexes of Cobalt-, Nickel-, Copper-, Zinc-, Cadmium- and Mercury(II) with Chelating Azo Dye Ligands 1-(2'-Hydroxynaphthyl-1')-azo-2-hydroxybenzene, 1-(Acetylacetonyl-3')-azo-2-hydroxybenzene, 3-(3'-Acetoacetanilido)azo-1-hydroxybenzene and 3-(8'-Hydroxyquinonyl-5')- azo-1-hydroxybenzene." Journal of Indian Chemical Society Vol. 68, Oct 1991 (1991): 542–44. https://doi.org/10.5281/zenodo.5969516.

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Post·Graduate Department of Chemistry, G. M'. College, Sambalpur-768 004 <em>Manuscript received 24 September 1990, revised 23 May 1991, accepted 3 September 1991</em> Bis-bidentate title ligands having ONNO. ONOO and ONON potential donor atoms form polymeric complexes with divalent metal ions. As Inferred from analysis. conductance, magnetic. ir. electronic and esr spectral data, the Co<sup>lI</sup>, Ni<sup>ll</sup> and Cu<sup>ll</sup> complexes are six-coordinated with an octahedral or distorted-octahedral configuration and the Zn<sup>ll</sup>, Cd<sup>ll</sup> and Hg<sup>ll</

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23

Gao, Fei, Eric J. Bylaska, and William J. Weber. "Defect Properties in GaN: Ab Initio and Empirical Potential Calculations." Materials Science Forum 475-479 (January 2005): 3087–90. http://dx.doi.org/10.4028/www.scientific.net/msf.475-479.3087.

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The defect properties and atomic configurations in GaN have been comparatively investigated using density functional theory (DFT) and molecular dynamics method with two representative potentials. The DFT calculations show that the relaxation of vacancies is generally small, but the relaxation around antisite defects is large. The N interstitials, starting from any possible configurations, eventually relax into a N+-N< 0 2 11 > split interstitial. In the case of Ga interstitials, the most stable configuration is a Ga octahedral interstitial, but the Ga+-Ga< 0 2 11 > split interstiti

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24

Yousefi, Mohammad, Shabahang Teimouri, Vahid Amani та Hamid Reza Khavasi. "trans-Tetrachloridobis(pyrazine-κN)platinum(IV)". Acta Crystallographica Section E Structure Reports Online 63, № 11 (2007): m2869—m2870. http://dx.doi.org/10.1107/s1600536807052555.

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The molecule of the title compound, [PtCl4(C4H4N2)2], possesses mmm symmetry. The PtIVatom is six-coordinated in an octahedral configuration by two N atoms of two pyrazine rings and four Cl atoms. In the crystal structure, there are π–π interactions between the pyrazine rings [the closest distance between adjacent rings is 3.6485 (7) Å].

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25

Gu, Ke-Qiang, Yu-Xi Sun, Ran Zhang, Nian-Wei Zhang та Hong-Wen Che. "Tris(glycinato-κ2 N,O)cobalt(III)". Acta Crystallographica Section E Structure Reports Online 63, № 3 (2007): m740—m742. http://dx.doi.org/10.1107/s1600536807005636.

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The title compound, [Co(C2H4NO2)3], is a mononuclear cobalt(III) complex. The CoIII atom is six-coordinated by three N atoms and three O atoms from three chelating glycinate ligands, forming a slightly distorted octahedral configuration. In the crystal structure, the molecules are linked together by intermolecular N—H...O hydrogen bonds, forming a three-dimensional network.

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26

Biscarini, Paolo. "Synthesis and circular dichroism characterization of new optically active transition metal complexes:M[(-)bdtp]3, M = Co3+, Rh3+, Ir3+." Collection of Czechoslovak Chemical Communications 56, no. 12 (1991): 3006–11. http://dx.doi.org/10.1135/cccc19913006.

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The chiral octahedral diastereoisomeric tris[(-)cyclic O,O’,1(R),2(R)(-)dimethylethylene dithiophosphato]metal(III) complexes, M[(-)bdtp]3, M(III) = Co, Rh, Ir, have been obtained stereoselectively in the Λ or Δ absolute configuration at the metal centre. The formation reaction and the characterization of the obtained complexes have been followed by circular dichroism spectroscopy. The complexes prove optically labile in various solvents. A configuration inversion has been observed in all complexes giving diastereoisomeric equilibria Λ(R,R)(R,R)(R,R) = Δ(R,R)(R,R)(R,R) with an excess of one fo

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27

Ding, Yong-Jie, Chun-Xiang Zhao, Chao-Yu Pei, and Guo-Xuan Wen. "Synthesis, Properties and Crystal Structure of a Novel Ni(II) Complex Derived from a 4-Heterocyclic Acylpyrazolone." Zeitschrift für Naturforschung B 67, no. 3 (2012): 204–8. http://dx.doi.org/10.1515/znb-2012-0304.

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The new 4-acylpyrazolone 1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-ol (HCPTP) and its Ni(II) complex [Ni(CPTP)2(C2H5OH)2](C2H5OH)2 were synthesized. The ligand and the complex were characterized by elemental analyses, IR and UV/Vis spectroscopy, thermal analyses, and single-crystal X-ray diffraction. Crystals of HCPTP are monoclinic, space group P21/c with Z = 4 while [Ni(CPTP)2(C2H5OH)2](C2H5OH)2 belongs to the triclinic system, space group P1̄ with Z = 2. The complex has a six-coordinated Ni(II) center in a distorted octahedral configuration with two ethanol ligands in cis position.

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Deng, Qianjun, Zitian Tang, Ruixue Liu, Yuan Liu, Huaxuan Liang, and Yancheng Liu. "(Z)-2-(2-(Anthracen-9-ylmethylene)hydrazineyl)pyrimidine-rhodium(III): Crystal Structure and DNA Binding Property." Crystals 12, no. 11 (2022): 1664. http://dx.doi.org/10.3390/cryst12111664.

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A new rhodium(III) complex of a 9-anthrahydrazone ligand ((Z)-2-(2-(Anthracen-9-ylmethylene)hydrazineyl)pyrimidine, 9-PMAH) is six-coordinated respectively by one bidentate ligand, one solvent DMSO, and three chlorides, to form a distorted octahedral coordination geometry. The ligand chelates to Rh(III) via the hydrazone N atom (N1) and pyrimidine N atom (N3), whereas DMSO coordinates to Rh(III) via the S atom. The three chloride ligands (Cl1, Cl2, and Cl3) are in a mer-configuration of the octahedron, with the DMSO cis- to the pyrimidine nitrogen. In solution, the complex may exist in the pos

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29

Glatz, Mathias, Martina Schroffenegger, Matthias Weil та Karl Kirchner. "Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) diiodide". Acta Crystallographica Section E Crystallographic Communications 72, № 7 (2016): 904–6. http://dx.doi.org/10.1107/s2056989016008896.

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The asymmetric unit of the title salt, [Mn(C2H6OS)6]I2, consists of one MnIIion, six O-bound dimethyl sulfoxide (DMSO) ligands and two I−counter-anions. The isolated complex cations have an octahedral configuration and are grouped in hexagonally arranged rows extending parallel to [100]. The two I−anions are located between the rows and are linked to the cations through two weak C—H...I interactions.

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30

KHAN, M. N., S. AL-DALLAL, A. MEMON, ASHFAQ AHMED, and V. S. DARSHANE. "ELECTRICAL CONDUCTIVITY AND STRUCTURAL INVESTIGATION OF THE SYSTEM Zn1−xCuxMnxFe2−xO4." Modern Physics Letters B 03, no. 11 (1989): 829–37. http://dx.doi.org/10.1142/s021798498900131x.

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X-ray, electrical conductivity and infrared absorption studies for the system Zn 1−x Cu x Mn x Fe 2−x O 4 have been carried out. All the compounds in the range 0≤x≤1 show cubic symmetry. It is found that all the compounds of the system possess low mobility values in the order of 10−9 cm 2/ Vsec and conduction is due to hopping process. The electrical conductivity measurements show that the activation energy decreases with increasing concentration of Cu 2+ and Mn 3+ in the crystal lattice. X-ray intensity calculations and IR studies indicated the presence of Zn 2+ at tetrahedral sites, Cu 2+ an

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Swamy, S. J., B. Veera Pratap, P. Someshwar, K. Suresh, and D. Nagaraju. "Synthesis and Spectral Studies of Iron(III), Ruthenium(III) and Rhodium(III) Complexes with New Tetraaza Macrocyclic Ligands." Journal of Chemical Research 2005, no. 5 (2005): 313–15. http://dx.doi.org/10.3184/0308234054323986.

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Complexes of iron(III), ruthenium(III) and rhodium(III) with three new tetraaza macrocyclic ligands, oxo4bzo3[14]triene-N4 [TBTAC14Tone], oxo4bzo2[14]diene-N4 [DBTAC14Tone] and oxo4bzo2[15]diene-N4 [DBTAC15Tone] have been prepared and characterised. The complexes are found to have the formulae [FeLCl2]Cl. 2H2O, [RuLCl2]Cl. 3H2O and [RhLCl2]Cl. 2H2O. The cations adopt a trans-dichloro configuration with the six-coordinated trivalent metal ions in a pseudo-octahedral geometry.

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32

Berg, Alexander, and Kurt Dehnicke. "Wolfram-dibromid-trinitrosyl, [WBr2(NO)3]2 Dibromotrinitrosyltungsten, [WBr2(NO)3]2." Zeitschrift für Naturforschung B 40, no. 6 (1985): 842–44. http://dx.doi.org/10.1515/znb-1985-0625.

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Abstract Dibromotrinitrosyltungsten, which dimerises via bromo bridges, is prepared by treating tungsten hexabromide with NO in CH2Br2 suspension. It reacts with the Lewis bases acetonitrile, 1,2-dipyridyl, triphenylphosphane, and tetraphenylphosphonium bromide forming the octahedral complexes [WBr,(NO),(CH,CN),]. [WBr2(NO)2(dipy)], [ WBr2(NO)2(PPh3)2], [WBr3(NO)2]22⊖, and [WBr4(NO)2]2⊖, respectively. According to the IR spectra all dinitrosyl complexes possess cis-configuration of the nitrosyl groups.

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Wu, Han, Pei Shi, Yi Gan, et al. "Mn-dopant induced Octahedral Configuration Strongly Stabilizes Ni12P5 Nanowires for Battery-Supercapacitor Hybrid Devices." Journal of Alloys and Compounds 903 (May 2022): 163897. http://dx.doi.org/10.1016/j.jallcom.2022.163897.

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34

Ribic, Vesna, Aleksander Recnik, Goran Drazic, Matejka Podlogar, Zorica Brankovic, and Goran Brankovic. "TEM and DFT study of basal-plane inversion boundaries in SnO2-doped ZnO." Science of Sintering 53, no. 2 (2021): 237–52. http://dx.doi.org/10.2298/sos2102237r.

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In our recent study (Ribic et al. 2020) we reported the structure of inversion boundaries (IBs) in Sb2O3-doped ZnO. Here, we focus on IBs that form in SnO2-doped ZnO. Using atomic resolution scanning transmission electron microscopy (STEM) methods we confirm that in SnO2-doped ZnO the IBs form in head-to-head configuration, where ZnO4 tetrahedra in both ZnO domains point towards the IB plane composed of a close-packed layer of octahedrally coordinated Sn and Zn atoms. The in-plane composition is driven by the local charge balance, following Pauling's principle of electroneutrality for ionic cr

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35

Wang, Wei Min, Xiang Chun Liu, Ming Zhao, and Chang Sheng Tian. "Effect of V₂O₅ Additive on the Microstructure and Electrical Properties of Mn-Co-NiO NTC Thermistor." Key Engineering Materials 336-338 (April 2007): 743–45. http://dx.doi.org/10.4028/www.scientific.net/kem.336-338.743.

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The aim of this paper is to investigate the effects of V2O5 additive on the electrical properties of NTC thermistors based on Ni0.5Co0.5Mn2O4.The XRD analyses indicate that single spinel phase can form, and V2+ions are in the octahedral interspace. The cell can be enlarged due to the V2O5 additive. The resistivities (ρ) and the material constant (B) increase obviously, the reasons of which are mainly attributed to the outer electron configuration of V2+ and cell enlargement.

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36

Duan, Mei Ling, Jin Hong Li, and Xiao Feng Yang. "Theoretical Study of Energy-Level Splitting of Cs₂NaPrCl₆ Crystal." Applied Mechanics and Materials 268-270 (December 2012): 11–14. http://dx.doi.org/10.4028/www.scientific.net/amm.268-270.11.

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The 91×91 complete energy matrix of 4f2 configuration ion Pr3+ in octahedral cubic crystal field has been constructed based upon the combination of Racah’s group-theoretical consideration with Slater’s wavefunctions. The energy levels of the neat hexachloride elpasolite crystals Cs2NaPrCl6 containing rare earth Pr3+ ion have been calculated. The results imply that the diagonalization to the complete energy matrix can be received as an effective method of performing a theoretical calculation to the rare earth compounds.

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Sakiyama, Hiroshi, Takaaki Abiko, Masayuki Koikawa, and Mikio Yamasaki. "Magneto-Structural Relationship of Tetragonally-Compressed Octahedral Iron(II) Complex Surrounded by a pseudo-S6 Symmetric Hexakis-Dimethylsulfoxide Environment." Magnetochemistry 7, no. 2 (2021): 30. http://dx.doi.org/10.3390/magnetochemistry7020030.

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Since the octahedral high-spin iron(II) complex has the 5T2g ground term, the spin-orbit coupling should be considered in magnetic analysis; however, such treatment is rarely seen in recent papers, although the symmetry-sensitive property is of interest to investigate in detail. A method to consider the T-term magnetism was well constructed more than half a century ago. On the other hand, the method has been still improved in recent years. In this study, the octahedral high-spin iron(II) complex [Fe(dmso)6][BPh4]2 (dmso: dimethylsulfoxide) was newly prepared, and the single-crystal X-ray diffr

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Wang, Li Hua, Zi Jian Wang, Mei Li Zhao, et al. "Synthesis, Crystal Structure of Tetra-Nuclear Macrocyclic Zn(II) Complex and Its Application as Catalyst for Oxidation of Benzyl Alcohol." Bulletin of Chemical Reaction Engineering & Catalysis 16, no. 4 (2021): 839–46. http://dx.doi.org/10.9767/bcrec.16.4.10978.839-846.

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A new six coordinated tetra-nuclear macrocyclic Zn(II) complex, ZnL4(Phen)2 (1) (HL= 3-bromo-2-hydroxybenzaldehyde-pyridine-2-carbohydrazone, Phen = 1,10-phenanthroline) has been synthesized by the self-assembly of 3-bromo-2-hydroxybenzaldehyde-pyridine-2-carbohydrazone, Zn(CH3COO)2•2H2O, NaOH and 1,10-phenanthroline in water/ethanol (v:v = 1:3) solution. Complex 1 was characterized by elemental analysis, infra red (IR), and single-crystal X-ray diffraction (XRD) analysis. The results show that Zn1 and Zn1b ions are six-coordinated with a distorted octahedral geometric configuration by four O

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39

Cao, Hui, Xufei Xie, Yaohua Chen, et al. "Laser repointing scheme for octahedral spherical hohlraums on the SGIII laser facility." Physics of Plasmas 30, no. 4 (2023): 042703. http://dx.doi.org/10.1063/5.0133806.

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The novel octahedral spherical hohlraum can provide an ideal and practical approach for the next generation of laser systems to support both direct and indirect drive to achieve predictable and reproducible fusion gain via multiple schemes. To demonstrate its advantage in a naturally high symmetry at a cylindrically configured laser facility, it requires to repoint the laser beams to approach as close as possible the ideal octahedral beam configuration with an injection angle (the angle between a beam and the normal direction of its laser entrance hole (LEH)) ranging from 50° to 60°. We report

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40

Duan, Mei Ling, Jin Hong Li, and Xiao Feng Yang. "Energy-Level Splitting of Cs₂NaYCl₆ Crystal Doped with Praeseodymium." Advanced Materials Research 634-638 (January 2013): 11–14. http://dx.doi.org/10.4028/www.scientific.net/amr.634-638.11.

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The 91×91 complete energy matrix of 4f2 configuration ion praeseodymium in octahedral cubic crystal field has been constructed based upon the combination of Racah’s group-theoretical consideration with Slater’s wavefunctions. The energy levels of praseodymium (Pr3+) in hexachloride elpasolite crystals Cs2NaYCl6 have been calculated. The calculated results display a good agreement with the experimental values, which implies that the complete energy matrix method can be received as a recommendable tool to perform a theoretical analysis to the doped crystal.

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41

Feshin, Valentin P., Gennadii V. Dolgushin, Igor M. Lazarev, and Mikhail, G. Voronkov. "The Structure of Tetrachlorostannate Complexes with Ketones from 35Cl NQR Data." Zeitschrift für Naturforschung A 45, no. 3-4 (1990): 219–23. http://dx.doi.org/10.1515/zna-1990-3-405.

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Abstract35Cl NQR spectra (77 K) of 1:1 and 2:1 RR'CO-SnCl 4 are recorded and discussed. These spectra change in the course of time. At low temperatures either octahedral or trigonal-bipyramidal complexes (depending on the ratio of components and the nature of ligands) are formed. Frequently these systems contain a mixture of steric isomers or a mixture of complexes having different coordination numbers of the tin atom. In the solid state some complexes show a transition from one to another configuration.

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42

Kumar, Gajendra, Shoma Devi, and Rajeev Johari. "Synthesis and Spectral Characterization of Schiff Base Cr(III), Mn(III), and Fe(III) Novel Macrocyclic Complexes Derived from Thiocarbohydrazide and Dicarbonyl Compound." E-Journal of Chemistry 9, no. 4 (2012): 2255–60. http://dx.doi.org/10.1155/2012/956812.

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M(III) Schiff base macrocyclic complexes of the type [HLMX2] where M = Cr(III), Mn(III), Fe(III) and X = Cl, OAc have been synthesized by condensation of acetylacetone and Thio-carbohydrazide (2:2) in the presence of divalent metal salt in methanolic medium. The complexes have been characterized with the help of elemental analysis, conductance measurements, magnetic measurements and their structural configuration have been determined by various spectroscopic (electronic, IR,1H NMR,13C NMR, GCMS) techniques. Electronic and magnetic moments of the complexes indicate that the geometries of the me

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43

Glodjovic, Verica, Milan Joksovic, and Srecko Trifunovic. "The geometrical isomers of oxalato and malonato-(ethylenediamine-N,N’-di-S,S-2-propionato)-chromate(III) complexes." Journal of the Serbian Chemical Society 70, no. 1 (2005): 1–7. http://dx.doi.org/10.2298/jsc0501001g.

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Three octahedral chromium(III) complexes of the general formula Na[Cr(S,S-eddp)L].2H2O, where eddp = the tetradentate O-N-N-O-type ligand ethylenediamine-N,N?-di-S,S-2-propionate and L = a bidentate O-O-type ligand, either oxalate or malonate, were prepared. The complexes were synthesized by the reaction of chromium(III) chloride, S,S-eddp and malonic acid or sodium oxalate, at 60?C. The complexes were isolated chromatographically and the geometric configuration of the complexes was proposed on the basis of their infrared and electronic absorption spectra.

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44

N., KUMAR, PANDITA VEENA, and NAMARTA. "Studies on Complexes of Copper( II) Alkanoates with 2-, 3- and 4-Arninopyricdines." Journal of Indian Chemical Society Vol. 69, Nov 1992 (1992): 706–8. https://doi.org/10.5281/zenodo.6034534.

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Department of Chemistry. University of Jammu, Jammu-180 001 <em>Manuscript received 26 May 1992, accepted 6 August 1992</em> 2-, 3- and 4-Aminopyridines yield mono- and bis-amine complexes on interaction with copper(II) acetate, propionate, n-butyrate and isobutyrate. The complexes are solid, stable and are green or blue-violet in colour. Conductance, magnetic moments, electronic and Jr spectral studies reveal that they are neutral six-coordinate species having distorted octahedral geometry except bis-amine complex of 4-aminopyridine with copper butyrate which has a square-planar configuration

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45

Nam, Ki Hyun. "Room-Temperature Structure of Xylitol-Bound Glucose Isomerase by Serial Crystallography: Xylitol Binding in the M1 Site Induces Release of Metal Bound in the M2 Site." International Journal of Molecular Sciences 22, no. 8 (2021): 3892. http://dx.doi.org/10.3390/ijms22083892.

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Glucose isomerase (GI) is an important enzyme that is widely used in industrial applications, such as in the production of high-fructose corn syrup or bioethanol. Studying inhibitor effects on GI is important to deciphering GI-specific molecular functions, as well as potential industrial applications. Analysis of the existing xylitol-bound GI structure revealed low metal occupancy at the M2 site; however, it remains unknown why this phenomenon occurs. This study reports the room-temperature structures of native and xylitol-bound GI from Streptomyces rubiginosus (SruGI) determined by serial mil

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46

Mahapatra, Bi B., and AK Sarangi. "Polymetallic Complexes Part 91 Dimeric and Monomeric Complexes of Co^II, Ni^II, Cu^II, Zn^II, Cd^II and Hg^II with N∩O-O∩N and N∩O Donor Bis-bidentate and Bi-dentate Azodye Ligands." Bangladesh Journal of Scientific and Industrial Research 46, no. 2 (2011): 259–64. http://dx.doi.org/10.3329/bjsir.v46i2.3558.

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Bis-bidentate azodye, 4,4 / -bis (4/ -dihydroxyquinolincazo)3,3/ -dimethoxydibenzene having N∩O-O∩N donors and bidentate azodye (4 -hyoxyquinolineazo)4/ methoxybenzene having N∩O donors form dimeric and monomeric complexes of the type [M2LCl2(H2O)6], [M/2LCl2(H2O)2], [ML/2(H2O)2] and [M/L/2] where M = CoII, NiII, CuII; M /II, CdII, HgII. The complexes of the first and third categories are found to be six-coordinated with an octahedral and distorted octahedral configuration and the complexes of second and fourth type are four-coordinated with a tetrahedral geometry around the metal ions. The co

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47

NITYANANDA, SAHA, and K. KAR SUSANTA. "Magnetic and Spectroscopic Studies on some New Bis- and Tris-complexes of Iron(II) with 3,5-Dimethy1- 1-(2`-pyridyl)pyrazole : Indication of 5T2 'Ai Equilibrium." Journal Of India Chemical Society Vol.66, Aug-Oct 1989 (1989): 521–24. https://doi.org/10.5281/zenodo.5959285.

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Department of Chemistry, University of Calcutta, 92 A. P. C. Road, Calcutta-700 009 The synthesis and physicochemical characterisation (including magnetic measurements over a temperature range and MOssbauer spectra) of a host of bis- and trisiron(u) complexes with the title ligand, viz. 3,5-dimethy1-1-(2'-pyridyl)pyrazole (DPyPz) are reported. The tis-complexes Fe(DPyPz)<sub>2</sub>X<sub>2.</sub>nH<sub>2</sub>O (X =Cl, Br, NCS ; n = 0, 2) are clearly of high-spin type (µ<sub>e f</sub> =5.00— 5.40 B.M. at 298 K) with temperature-independent magnetic moment values,

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48

Sarr, Modou, Carina Merkens, Aminata Diassé-Sarr, Libasse Diop, and Ulli Englert. "Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)." Acta Crystallographica Section E Structure Reports Online 70, no. 6 (2014): m220—m221. http://dx.doi.org/10.1107/s160053681401109x.

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The title compound, (C6H14N)2[Sn(C6H5)2Cl4], contains cyclohexylammonium cations in general positions and a stannate(IV) anion that is located on a twofold rotation axis. The SnIVatom in the complex anion is surrounded by four Cl−ligands and twotrans-phenyl groups in a distorted octahedral configuration. The anions are connected with the cations through N—H...Cl hydrogen bonds. Every cation is involved in three N—H...Cl bonds to the chloride ligands of three different anions, and each chloride ligand is linked to two cations. This arrangement leads to a layered structure parallel to (010).

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49

Piletska, Kseniia O., Kostiantyn V. Domasevitch та Alexander V. Shtemenko. "Crystal structure offac-aquatricarbonyl[(S)-valinato-κ2N,O]rhenium(I)". Acta Crystallographica Section E Crystallographic Communications 72, № 4 (2016): 590–92. http://dx.doi.org/10.1107/s2056989016005235.

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In the molecule of the title compound, [Re(C5H10NO2)(CO)3(H2O)], the ReIatom adopts a distorted octahedral coordination sphere defined by one aqua and three carbonyl ligands as well as one amino N and one carboxylate O atom of the chelating valinate anion. The carbonyl ligands are arranged in afac-configuration around the ReIion. In the crystal, an intricate hydrogen-bonding system under participation of two O—H, two N—H and one C—H donor groups and the carboxylate and carbonyl O atoms as acceptor groups contribute to the formation of a three-dimensional supramolecular network.

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Wang, Yu-Long, Meng Feng, Xian Tao, Qing-Yun Tang та Ying-Zhong Shen. "Two lanthanum(III) complexes containing η2-pyrazolate and η2-1,2,4-triazolate ligands: intramolecular C—H...N/O interactions and coordination geometries". Acta Crystallographica Section C Crystal Structure Communications 69, № 1 (2012): 25–28. http://dx.doi.org/10.1107/s0108270112049281.

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The lanthanum(III) complexes tris(3,5-diphenylpyrazolato-κ2N,N′)tris(tetrahydrofuran-κO)lanthanum(III) tetrahydrofuran monosolvate, [La(C15H11N2)3(C4H8O)3]·C4H8O, (I), and tris(3,5-diphenyl-1,2,4-triazolato-κ2N1,N2)tris(tetrahydrofuran-κO)lanthanum(III), [La(C14H10N3)3(C4H8O)3], (II), both contain LaIIIatoms coordinated by three heterocyclic ligands and three tetrahydrofuran ligands, but their coordination geometries differ. Complex (I) has amer-distorted octahedral geometry, while complex (II) has afac-distorted configuration. The difference in the coordination geometries and the existence of

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