Decomposition of Halogenated Molybdenum Sulfide Dianions [MoSX] (X = Cl, Br, I).

Molybdenum sulfides are considered a promising and inexpensive alternative to platinum as a catalyst for the hydrogen evolution reaction. In this study, we perform collision-induced dissociation experiments in the gas phase with the halogenated molybdenum sulfides [MoSCl], [MoSBr], and [MoSI]. We show that the first fragmentation step for all three dianions is charge separation via loss of a halide ion.

Rearrangement and decomposition pathways of bare and hydrogenated molybdenum oxysulfides in the gas phase.

Molybdenum sulfides and molybdenum oxysulfides are considered a promising and cheap alternative to platinum as a catalyst for the hydrogen evolution reaction (HER). To better understand possible rearrangements during catalyst activation, we perform collision induced dissociation experiments in the gas phase with eight different molybdenum oxysulfides, namely [MoOS], [MoOS], [MoOS], [MoOS], [MoOS], [HMoOS], [HMoOS] and [HMoOS], on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. We identify fragmentation channels of the molybdenum oxysulfides and their interconnections.

[Mo S ] as a Model System for Hydrogen Evolution Catalysis by MoS : Probing Protonation Sites in the Gas Phase by Infrared Multiple Photon Dissociation Spectroscopy.

Materials based on molybdenum sulfide are known as efficient hydrogen evolution reaction (HER) catalysts. As the binding site for H atoms on molybdenum sulfides for the catalytic process is under debate, [HMo S ] is an interesting molecular model system to address this question. Herein, we probe the [HMo S ] cluster in the gas phase by coupling Fourier-transform ion-cyclotron-resonance mass spectrometry (FT-ICR MS) with infrared multiple photon dissociation (IRMPD) spectroscopy.

Structural Properties of Gas Phase Molybdenum Sulfide Clusters [MoS], [HMoS], and [HMoS] as Model Systems of a Promising Hydrogen Evolution Catalyst.

Amorphous molybdenum sulfide (MoS ) is a potent catalyst for the hydrogen evolution reaction (HER). Since mechanistic investigations on amorphous solids are particularly difficult, we use a bottom-up approach and study the [MoS] nanocluster and its protonated forms. The mass selected pure [MoS] as well as singly and triply protonated [HMoS] and [HMoS] ions, respectively, were investigated by a combination of collision induced dissociation (CID) experiments and quantum chemical calculations.