| Autor: |
Liu, Gaoxiang, Miliordos, Evangelos, Ciborowski, Sandra M., Tschurl, Martin, Boesl, Ulrich, Heiz, Ulrich, Zhang, Xinxing, Xantheas, Sotiris S., Bowen, Kit |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 12/14/2018, Vol. 149 Issue 22, pN.PAG-N.PAG, 6p, 1 Chart, 4 Graphs |
| Abstrakt: |
We report experimental and computational results pertaining to the activation and splitting of single water molecules by single atomic platinum anions. The anion photoelectron spectra of [Pt(H2O)]−, formed under different conditions, exhibit spectral features that are due to the anion-molecule complex, Pt−(H2O), and to the reaction intermediates, HPtOH− and H2PtO−, in which one and two O–H bonds have been broken, respectively. Additionally, the observations of PtO− and H2+ in mass spectra strongly imply that water splitting via the reaction Pt− + H2O → PtO− + H2 has occurred. Extending these studies to nickel and palladium shows that they too are able to activate single water molecules, as evidenced by the formation of the reaction intermediates, HNiOH− and HPdOH−. Computations at the coupled cluster singles and doubles with perturbatively connected triples level of theory provide structures and vertical detachment energies (VDEs) for both HMOH− and H2MO− intermediates. The calculated and measured VDE values are in good agreement and thus support their identification. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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