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).
Domaines
Physique [physics]
Origine : Fichiers produits par l'(les) auteur(s)
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