Symmetric cage structures of isomers of nonstoichiometric lower molybdenum oxides

Abstract

Molybdenum dioxide (Mo2) synthesized through thermal decomposition of the [MoO2(i-C3H7NHO)2] complex and containing a nanosized fraction has been studied by MALDI-TOF. The composition of clusters of lower nonstoichiometric molybdenum oxide cations in the gas phase has been determined, and theoretical calculations of the thermodynamic stability and structure of the isomers of the most symmetric structures have been performed. Molecular orbitals of the cationic and neutral clusters Mo5O8 and Mo5O9 have been examined, and the aromaticity of the Mo-Mo bonds in metallacycles has been demonstrated.