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Wiley, Journal of Inorganic and General Chemistry, 13-14(635), p. 2120-2125, 2009

DOI: 10.1002/zaac.200900185

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

Journal article published in 2009 by Dominique Agustin, Christine Bibal, Benjamin Neveux, Jean-Claude Daran, Rinaldo Poli ORCID
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Abstract

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).