Structural Properties of Gas-Phase Molybdenum Oxide Clusters [Mo₄O₁₃]^2-, [HMo₄O₁₃]^-, and [CH₃Mo₄O₁₃]^- Studied by Collision-Induced Dissociation.

ABSTRACT: Molybdenum oxide-based catalysts are widely used for the ammoxidation of toluene, methanation of CO, or hydrodeoxygenation. As a first step towards a gas-phase model system, we investigate here structural properties of mass-selected [Mo₄O₁₃]^2-, [HMo₄O₁₃]^-, and [CH₃Mo₄O₁₃]^- by a combination of collision-induced dissociation (CID) experiments and quantum chemical calculations. According to calculations, the common structural motif is an eight-membered ring composed of four MoO₂ units and four O atoms. The 13th O atom is located above the center of the ring and connects two to four Mo centers. For [Mo₄O₁₃]^2- and [HMo₄O₁₃

SUBMITTER: Plattner M 

PROVIDER: S-EPMC6805806 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature