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

The crystal structure of MoO2(SAP)(EtOH) is reported for the first time. The compound crystallizes in the monoclinic crystallographic system (P2(1)/n, a = 11.0923(3) angstrom, b = 6.9590(2) angstrom, c = 19.4499(5) angstrom, beta = 94.458(1)degrees, V = 1496.82(7) angstrom(3), Z = 4). The molybdenum atom adopts a distorted octahedral arrangement with cis Mo=O bonds, typical for cis-dioxomolybdenum(VI) complexes. The ethanol ligand is situated trans to one oxido ligand. Theoretical calculations in the gas phase were performed to examine the relative stability of MoO2(L)(EtOH) and the [MoO2(L)](2) dimeric form (L = SAP, SAE).