Academic Journal
Communication: Water activation and splitting by single metal-atom anions
| العنوان: | Communication: Water activation and splitting by single metal-atom anions |
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| المؤلفون: | Liu, Gaoxiang, Miliordos, Evangelos, Ciborowski, Sandra M., Tschurl, Martin, Boesl, Ulrich, Heiz, Ulrich, Zhang, Xinxing, Xantheas, Sotiris S., Bowen, Kit |
| المساهمون: | Division of Chemistry, U.S. Department of Energy, Air Force Office of Scientific Research |
| المصدر: | The Journal of Chemical Physics ; volume 149, issue 22 ; ISSN 0021-9606 1089-7690 |
| بيانات النشر: | AIP Publishing |
| سنة النشر: | 2018 |
| الوصف: | 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. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1063/1.5050913 |
| DOI: | 10.1063/1.5050913/15550909/221101_1_online.pdf |
| الاتاحة: | http://dx.doi.org/10.1063/1.5050913 https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.5050913/15550909/221101_1_online.pdf |
| رقم الانضمام: | edsbas.2EB916DF |
| قاعدة البيانات: | BASE |
| DOI: | 10.1063/1.5050913 |
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