Structural Characterization and Theoretical Calculations of cis-Dioxo(N-salicylidene-2-aminophenolato)(ethanol)molybdenum(VI) complexes MoO2(SAP)(EtOH) (SAP = N-salicylidene-2 aminophenolato) - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie Année : 2009

Structural Characterization and Theoretical Calculations of cis-Dioxo(N-salicylidene-2-aminophenolato)(ethanol)molybdenum(VI) complexes MoO2(SAP)(EtOH) (SAP = N-salicylidene-2 aminophenolato)

Résumé

The crystal structure of MoO2(SAP)(EtOH) is reported herein for the first time. The compound crystallizes in the monoclinic crystallographic system (P21/n, a = 11.0923(3) Å, b = 6.9590(2) Å, c = 19.4499(5) Å, β = 94.458(1)°, V = 1496.82(7) Å3, Z = 4). The molybdenum atom adopts a distorted octahedral geometry with cis Mo=O bonds, typical of cis-dioxomolybdenum(VI) complexes. The ethanol ligand is situated trans to one oxido ligand. Theoretical calculations in the gas phase have been performed to examine the relative stability of MoO2(L)(EtOH) and the [MoO2(L)]2 dimeric form (L= SAP, SAE).

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hal-00505525 , version 1 (24-07-2010)

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Dominique Agustin, Christine Bibal, Benjamin Neveux, Jean-Claude Daran, Rinaldo Poli. Structural Characterization and Theoretical Calculations of cis-Dioxo(N-salicylidene-2-aminophenolato)(ethanol)molybdenum(VI) complexes MoO2(SAP)(EtOH) (SAP = N-salicylidene-2 aminophenolato). Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2009, 635 (13-14), pp.2120. ⟨10.1002/zaac.200900185⟩. ⟨hal-00505525⟩
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