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Bis(?(2)-?:?-2,4,6-trimethyl-benzonitrile)-bis-[(N-isopropyl-3,5-dimethyl-anilido)molybdenum(III)](Mo-Mo).

ABSTRACT: The title compound, [Mo(2)(C(11)H(16)N)(4)(C(10)H(11)N)(2)], is a dinuclear molybdenum complex with a formal metal-metal bond [Mo?Mo separation = 2.5946?(8)?Å], four anilide-type ligands and two bridging mesityl nitrile groups. There are two inversion symmetric mol-ecules in the unit cell (an inversion center is localized at the mid-point of the Mo-Mo bond), each with approximate non-crystallographic C(2h) symmetry. The mol-ecules contain disordered isopropyl and 3,5-C(6)H(3)Me(2) groups on different anilido ligands; the major component having an occupancy of 0.683?(7). The complex was obtained in low yield as the product from the reaction between the bridging pyrazine adduct of molybdenum tris--anilide ([?(2)-(C(4)H(4)N(2)){Mo(C(11)H(16)N)(3)}(2)]) and mesityl nitrile with a loss of one anilido ligand.

SUBMITTER: Moroz YS

PROVIDER: S-EPMC3238583 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo-Mo Bond.

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2020-01-01 | S-EPMC7066654 | BioStudies

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1000-01-01 | S-EPMC3009272 | BioStudies

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2020-01-01 | S-EPMC7199245 | BioStudies

Comparative calculation of EPR spectral parameters in [Mo(V)OX4]-, [Mo(V)OX5]2-, and [Mo(V)OX4(H2O)]- complexes.

Project description:The EPR spectral parameters, i.e. g-tensors and molybdenum hyperfine couplings, for several d(1) systems of the general formula [Mo(V)EX(4)](n-), [Mo(V)OX(5)](2-), and [Mo(V)OX(4)(H(2)O)](-) (E = O, N; X = F, Cl, Br; n = 1 or 2) were calculated using Density Functional Theory. The influence of basis sets, their contraction scheme, the type of exchange-correlation functional, the amount of Hartree-Fock exchange, molecular geometry, and relativistic effects on the calculated EPR spectra parameters have been discussed. The g-tensors and molybdenum hyperfine coupling parameters were calculated using a relativistic Hamiltonian coupled with several LDA, GGA, and 'hybrid' exchange-correlation functionals and uncontracted full-electron DGauss DZVP basis sets. The calculated EPR parameters are found to be sensitive to the Mo=E distance and E=Mo-Cl angle, and thus the choice of starting molecular geometry should be considered as an important factor in predicting the g-tensors and hyperfine coupling constants in oxo-molybdenum compounds. In the present case, the GGA exchange-correlation functionals provide a better agreement between the theory and the experiment.

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A binuclear molybdenum oxyfluoride: ?-oxido-bis-[(2,2'-bipyrid-yl)fluoridodioxidomolybdenum(VI)].

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Project description:The structure of lithium nona-cerium hexa-deca-molybdenum penta-trideca-oxide, LiCe(9)Mo(16)O(35), is isotypic with LiNd(9)Mo(16)O(35) [Gougeon Gall, Cuny, Gautier, Le Polles, Delevoye & Trebosc (2011 ?). Chem. Eur. J.17, 13806-13813]. It is characterized by Mo(16)O(26) (i)O(10) (a) units (where i = inner and a = apical) containing Mo(16) clusters that share some of their O atoms to form infinite molybdenum cluster chains running parallel to the b axis and separated by Li(+) and Ce(3+) cations. The Mo(16) cluster units are centred at Wyckoff positions 2c and have point-group symmetry 2/m. The Li(+) atom, in a flattened octa-hedron of O atoms, is in a 2a Wyckoff position with 2/m symmetry. The Ce(3+) cations have coordination numbers to the O atoms of 6, 9 or 10. Two Ce, two Mo and five O atoms lie on sites with m symmetry (Wyckoff site 4i), and one Ce and one O atom on sites with 2/m symmetry (Wyckoff sites 2b and 2d, respectively).

2012-01-01 | S-EPMC3297206 | BioStudies

In situ Engineering of Hollow Porous Mo 2 C@C Nanoballs Derived From Giant Mo-Polydopamine Clusters as Highly Efficient Electrocatalysts for Hydrogen Evolution.

Project description:Low-cost and highly effective catalysts are crucial to the electrocatalytic hydrogen evolution reaction (HER). Among non-noble catalysts, molybdenum carbides are promising candidates because of their high reserves, stability, low cost, and structural diversity. In this work, we report a simple method to fabricate a hollow porous Mo2C@C nanoball through a hydrothermal preparation process of molybdenum precursors at high temperatures. Specifically, we have combined interfacial polymerization and the chelation effect to synthesize the Mo-polydopamine (Mo-PDA) precursor. As a result, Mo2C@C-3 only requires an ultralow Tafel slope (~55 mV dec-1) and low overpotential (?50 ? 167 mV) in a 0.5 M H2SO4 solution with long-term cycling stability. Besides, it also exhibits outstanding activity and stability under extensive HER testing in alkaline media. This study is promising for the development of advanced molybdenum carbide electrocatalysts toward electrochemical applications.

2020-01-01 | S-EPMC7154172 | BioStudies

Tl(2)Mo(9)Se(11).

Project description:The structure of Tl(2)Mo(9)Se(11), dithallium nona-molybdenum undeca-selenide, is isotypic with Tl(2)Mo(9)S(11) [Potel et al. (1980 ?). Acta Cryst. B36, 1319-1322]. The structural set-up is characterized by a mixture of Mo(6)Se(i) (8)Se(a) (6) and Mo(12)Se(i) (14)Se(a) (6) cluster units in a 1:1 ratio. Both components are inter-connected through inter-unit Mo-Se bonds. The cluster units are centered at Wyckoff positions 3a and 3b (point-group symmetry .). The two Tl(I) atoms are situated in the voids of the three-dimensional arrangement. Two of the five independent Se atoms and the Tl atoms lie on sites with 3. symmetry (Wyckoff site 6c).

1000-01-01 | S-EPMC3007497 | BioStudies

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