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[Mo3 S13 ]2- as a Model System for Hydrogen Evolution Catalysis by MoSx : Probing Protonation Sites in the Gas Phase by Infrared Multiple Photon Dissociation Spectroscopy.

ABSTRACT: 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, [HMo3 S13 ]- is an interesting molecular model system to address this question. Herein, we probe the [HMo3 S13 ]- cluster in the gas phase by coupling Fourier-transform ion-cyclotron-resonance mass spectrometry (FT-ICR MS) with infrared multiple photon dissociation (IRMPD) spectroscopy. Our investigations show one distinct S-H stretching vibration at 2450 cm-1 . Thermochemical arguments based on DFT calculations strongly suggest a terminal disulfide unit as the H adsorption site.

SUBMITTER: Baloglou A 

PROVIDER: S-EPMC7986116 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature

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[Mo<sub>3</sub> S<sub>13</sub> ]<sup>2-</sup> as a Model System for Hydrogen Evolution Catalysis by MoS<sub>x</sub> : Probing Protonation Sites in the Gas Phase by Infrared Multiple Photon Dissociation Spectroscopy.

Baloglou Aristeidis A   Plattner Manuel M   Ončák Milan M   Grutza Marie-Luise ML   Kurz Philipp P   Beyer Martin K MK  

Angewandte Chemie (International ed. in English) 20210126 10

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<sub>3</sub> S<sub>13</sub> ]<sup>-</sup> is an interesting molecular model system to address this question. Herein, we probe the [HMo<sub>3</sub> S<sub>13</sub> ]<sup>-</sup> cluster in the gas phase by coupling Fourier-transform ion-cyclotron-resonance mass spectrometry (FT-ICR MS) with in  ...[more]

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