CO2 Activation and Hydrogenation by PtHn− Cluster Anions |
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| Authors: | Dr. Xinxing Zhang Gaoxiang Liu Prof. Dr. Karl‐Heinz Meiwes‐Broer Prof. Dr. Gerd Ganteför Prof. Dr. Kit Bowen |
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| Affiliation: | 1. Department of Chemistry, Johns Hopkins University, Baltimore, MD, USA;2. Institut für Physik, Universit?t Rostock, Rostock, Germany;3. Fachbereich Physik, Universit?t Konstanz, Fach: 690, Konstanz, Germany |
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| Abstract: | Gas phase reactions between PtHn? cluster anions and CO2 were investigated by mass spectrometry, anion photoelectron spectroscopy, and computations. Two major products, PtCO2H? and PtCO2H3?, were observed. The atomic connectivity in PtCO2H? can be depicted as HPtCO2?, where the platinum atom is bonded to a bent CO2 moiety on one side and a hydrogen atom on the other. The atomic connectivity of PtCO2H3? can be described as H2Pt(HCO2)?, where the platinum atom is bound to a formate moiety on one side and two hydrogen atoms on the other. Computational studies of the reaction pathway revealed that the hydrogenation of CO2 by PtH3? is highly energetically favorable. |
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| Keywords: | ab initio calculations anion photodetachment carbon dioxide fixation metal hydrides |
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