MALDI-TOF Mass Spectrometry of Nanosized MoO2. Structure and Relative Stability of Isomers of Lower Molybdenum Oxide Cations

Resumo

MALDI-TOF was used to study molybdenum dioxide (MoO₂) containing a nanosized fraction. The composition of cationic clusters of nonstoichiometric lower molybdenum oxides in the gas phase was determined, and the thermodynamic stabilities and configurations of isomers were calculated for selected symmetric molecular structures and for cations MoSO₈⁺and Mo₅O₉⁺. Molecular orbital analysis was performed for two trigonal-bipyramidal clusters Mo₅O₈ and Mo₅O₉. Changes in molybdenum–molybdenum interatomic distances in going from MoO₈⁺ and Mo₅O₉⁺ cations to neutral clusters are discussed.