scholarly journals Electron localization in a mixed-valence diniobium benzene complex

2015 ◽  
Vol 6 (2) ◽  
pp. 993-1003 ◽  
Author(s):  
Thomas L. Gianetti ◽  
Grégory Nocton ◽  
Stefan G. Minasian ◽  
Nikolas Kaltsoyannis ◽  
A. L. David Kilcoyne ◽  
...  
Keyword(s):  
Single Crystal ◽  
Unpaired Electron ◽  
Mixed Valence ◽  
Metal Center ◽  
Electron Localization ◽  
X Ray Diffraction ◽  
X Ray

One electron oxidation of a neutral diniobium benzene complex leads to a mixed-valence species. Single crystal X-ray diffraction, EPR, L3,2-edge XANES, and DFT indicate that the unpaired electron is localized on one metal center.

Die neuen Oxobismutate(III) Cs6Bi4O9, K9Bi5O13 und A2Bi4O7 (A = Rb, Cs) / The New Oxobismutates(III) Cs6Bi4O9, K9Bi5O13 and A2Bi4O7 (A = Rb, Cs)

2002 ◽  
Vol 57 (10) ◽  
pp. 1090-1100
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Alkali Metals ◽  
Mixed Valence ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Mixed Valence Compound

AbstractThe title compounds were synthesized at a temperature of 700 °C via oxidation of elemental Bi with the hyperoxides AO2 or via reaction of the elemental alkali metals A with Bi2O3. Their crystal structures have been determined by single crystal x-ray diffraction. They are dominated by two possible surroundings of Bi by O, the ψ-trigonal-bipyramidal three (B) and the ψ-tetrahedral four (T) coordination. Cs6Bi4O9 (triclinic, spacegroup P1̄, a = 813.82(12), b = 991.60(14), c = 1213.83(18) pm, α = 103.658(2), β = 93.694(3), γ = 91.662(3)°, Z = 2) contains centrosymmetric chain segmentes [Bi8O18]12- with six three- (T) and two four-coordinated (B) Bi(III) centers. K9Bi5O13 (monoclinic, spacegroup P21/c, a = 1510.98(14), b = 567.59(5), c = 2685.6(2) pm, β = 111.190(2)°, Z = 4) is a mixed valence compound with isolated [BivO4]3- tetrahedra and chains [BiIII4O9]6- of two T and two B coordinated Bi. In the compounds A2Bi4O7 (A = Rb/Cs: monoclinic, C2/c, a = 2037.0(3) / 2130.6(12), b = 1285.5(2) / 1301.9(7), c = 1566.6(2) / 1605.6(9) pm, β = 94.783(3) / 95.725(9)°, Z = 8) ribbons [Bi4O6O2/2]2- are formed, which are condensed to form a three-dimensional framework.

Synthesis and Crystal Structure of [(μ-Biphenyl-3,3'-Dicarboxylato)Manganese(II)]

2012 ◽  
Vol 531 ◽  
pp. 124-127
Author(s):  
Guang Yin Wang
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Metal Center ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Hydrothermal Reactions

Hydrothermal reactions of biphenyl-3,3'-dicarboxylate acid (H2bpda) with Manganese(II) chloride gave rise to one new coordination polymer, namely, [Mn(bpda)]n. It was characterized by elemental analysis and single - crystal X - ray diffraction methods. This compound has one Mn metal center and shows a 3D uninterpenetrating framework

Hydrothermal Syntheses and Crystal Structures of Two New Mixed-valence Vanadium Oxides [Ni(en)2(H2O)2][Ni(en)3]2[V16O38Cl] · 3(H2O) and (H3O)2V3O8

2010 ◽  
Vol 65 (12) ◽  
pp. 1451-1456 ◽  
Author(s):  
Xing Liu ◽  
Xian-Hong Yin ◽  
Feng Zhang
Keyword(s):  
Vanadium Oxide ◽  
Single Crystal ◽  
Interlayer Space ◽  
Mixed Valence ◽  
Vanadium Oxides ◽  
Cluster Anions ◽  
X Ray Diffraction ◽  
Reaction Conditions ◽  
X Ray ◽  
Molar Ratios

Two vanadium oxides [Ni(en)2(H2O)2][Ni(en)3]2[V16O38Cl] ・3(H2O) (1) (en = ethylenediamine) and (H3O)2 V3O8 (2) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction. 1 consists of [Ni(en)2(H2O)2]2+ and [Ni(en)3]2+ cations, discrete [V16O38Cl]6− cluster anions and H2O molecules, while 2 consists of anionic mixed-valent V5+/V4+ vanadium oxide layers constructed from pairs of corner-sharing VVO4 tetrahedra and VIVO5 square pyramids, with H3O+ cations occupying the interlayer space. Both 1 and 2 were synthesized under the same reaction conditions but with different V/Ni molar ratios, which shows that the reactant stoichiometry of the system plays a key role in the formation of different structures in the products.

Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear CoII–CoIII complexes

2020 ◽  
Vol 49 (27) ◽  
pp. 9516-9528 ◽  
Author(s):  
Aparup Paul ◽  
Marta Viciano-Chumillas ◽  
Horst Puschmann ◽  
Joan Cano ◽  
Subal Chandra Manna
Keyword(s):  
Low Temperature ◽  
Single Crystal ◽  
Magnetic Relaxation ◽  
Mixed Valence ◽  
X Ray Diffraction ◽  
Magnetic Studies ◽  
X Ray ◽  
Slow Magnetic Relaxation

Two novel mixed valence di/tri nuclear CoII–CoIII complexes were synthesized and characterized by single crystal X-ray diffraction. Magnetic studies at low temperature revealed that both complexes show slow magnetic relaxation.

New ternary MgCo2Ga5 and MgNi2Ga5 gallides

2020 ◽  
Vol 235 (11) ◽  
pp. 513-521
Author(s):  
Nazar Pavlyuk ◽  
Grygoriy Dmytriv ◽  
Volodymyr Pavlyuk ◽  
Beata Rożdżyńska-Kiełbik ◽  
Alina Gil ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Symmetry Reduction ◽  
Electron Localization ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Localization Function ◽  
New Type ◽  
Index 2

AbstractThe crystal structure of new isostructural compounds MgCo2Ga5 and MgNi2Ga5 has been investigated using single-crystal X-ray diffraction. Both compounds represent a new type of structure: orthorhombic, space group Pnnm, oP16, with the following lattice parameters: a = 6.2700(2) Å, b = 6.6946(2) Å, c = 6.0789(2) Å (for MgCo2Ga5) and a = 6.2693(3) Å, b = 6.6968 Å, c = 6.0794 Å (for MgNi2Ga5). The MgCo2Ga5 and MgNi2Ga5 are closely related to the tetragonal structure of CoGa3 which crystallizes in the ht-IrIn3 type. The orthorhombic structures of MgCo2Ga5 and MgNi2Ga5 are derived from CoGa3 via a translationengleiche symmetry reduction of index 2. The symmetry reduction from P42/mnm to Pnnm causes that the 4c site splits into two sites 2c and 2d. The gallium atoms together with cobalt or nickel form 3D-nets with channels, in which magnesium atoms are inserted. The formation of these polyatomic nets is confirmed by distribution of electron localization function (ELF) and charges of atoms.

A Novel Convenient Synthesis of Mixed-Valence TiIII/TiIV Double Phosphates Starting with Titanium Nitride TiN

2000 ◽  
Vol 55 (3-4) ◽  
pp. 291-298 ◽  
Author(s):  
Igor V. Zatovsky ◽  
Nikolay S. Slobodyanik ◽  
Denis A. Stratiychuk ◽  
Konstantin V. Domasevitch ◽  
Joachim Sieler ◽  
...  
Keyword(s):  
Titanium Nitride ◽  
Single Crystal ◽  
Convenient Method ◽  
Mixed Valence ◽  
Synthetic Approach ◽  
X Ray Diffraction ◽  
X Ray ◽  
Convenient Synthesis ◽  
Synthetic Procedure ◽  
Titanium Phosphates

Abstract A new synthetic approach for the low- and mixed-valence double titanium phosphates starting with titanium nitride, TiN, and based on the controlled oxidation of a low-valent metal in the phosphate melt is presented. The reaction of the system MI2O - P2O5 - TiN (MI = Na, K) in air (800-1050 °C) leads to loss of nitrogen, N2, and results in the formation of a number of double phosphates: KTiP2O7, K2TiniTiIV(PO4)3, KTiOPO4, NaTiP2O7, NaTi2(PO4)3 and a new mixed-valent diphosphate, NaTiIIITiIV(P2O7)2. The mixed-valent species K2TiIIITiIV(PO4)3 and NaTiIIITiIV(P2O7)2 were characterized by single crystal X-ray diffraction. The described synthetic procedure is proposed as a simple and convenient method for the preparation of lowand mixed-valent phosphate materials

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