Structural and spectroscopic characterizations of aluminum phenoxide

A synthetic route to obtain crystalline aluminum phenoxide was established. Its molecular structure in solid-state and solution is unambiguously determined by single-crystal X-ray diffraction and (1)H, (13)C and (27)Al NMR spectroscopy. The single-crystal X-ray analysis revealed the presence of the dimeric THF adduct [Al(OPh)3·THF]2 with a disordered trigonal bipyramidal geometry at the aluminum atom which is bonded to a THF ligand, two terminal and two bridging phenoxy groups (OPh). The solution behavior of the title compound was investigated by (27)Al NMR in non-coordinating (CDCl3) as well as coordinating (THF) solvents at different temperatures. The obtained results indicate the presence of four- and five-coordinate species in solution.