Publikation:

Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anions

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2016

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Zhang, Xinxing
Alexandrova, Anastassia N.
Bowen, Kit

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http://nbn-resolving.de/urn:nbn:de:bsz:352-0-354622
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https://doi.org/10.1039/C6CP03243E
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Physical Chemistry Chemical Physics. 2016, 18(28), pp. 19345-19349. ISSN 1463-9076. eISSN 1463-9084. Available under: doi: 10.1039/C6CP03243E

Zusammenfassung

The two cluster anions, PtMgH3− and PtMgH5−, were studied by photoelectron spectroscopy and theoretical calculations. Experimentally-determined electron affinity (EA) and vertical detachment energy (VDE) values were compared with those predicted by our computations; excellent agreement was found. The calculated structures of PtMgH3− and PtMgH3 both exhibit η2-bonded H2 moieties. Activation of these H2 moieties is implied by the elongation of their bond lengths relative to the bond length of free H2. The calculated structures of PtMgH5− and PtMgH5 both exhibit all-hydrogen, five-member, σ-aromatic rings. These attributes are responsible for this anion's special stability.

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ISO 690ZHANG, Xinxing, Gerd GANTEFÖR, Anastassia N. ALEXANDROVA, Kit BOWEN, 2016. Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anions. In: Physical Chemistry Chemical Physics. 2016, 18(28), pp. 19345-19349. ISSN 1463-9076. eISSN 1463-9084. Available under: doi: 10.1039/C6CP03243E
BibTex
@article{Zhang2016Photo-35386,
  year={2016},
  doi={10.1039/C6CP03243E},
  title={Photoelectron spectroscopic and computational study of the PtMgH<sub>3,5</sub>− cluster anions},
  number={28},
  volume={18},
  issn={1463-9076},
  journal={Physical Chemistry Chemical Physics},
  pages={19345--19349},
  author={Zhang, Xinxing and Ganteför, Gerd and Alexandrova, Anastassia N. and Bowen, Kit}
}
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    <dcterms:abstract xml:lang="eng">The two cluster anions, PtMgH&lt;sub&gt;3&lt;/sub&gt;&lt;sup&gt;−&lt;/sup&gt; and PtMgH&lt;sub&gt;5&lt;/sub&gt;&lt;sup&gt;−&lt;/sup&gt;, were studied by photoelectron spectroscopy and theoretical calculations. Experimentally-determined electron affinity (EA) and vertical detachment energy (VDE) values were compared with those predicted by our computations; excellent agreement was found. The calculated structures of PtMgH&lt;sub&gt;3&lt;/sub&gt;&lt;sup&gt;−&lt;/sup&gt; and PtMgH&lt;sub&gt;3&lt;/sub&gt; both exhibit η&lt;sub&gt;2&lt;/sub&gt;-bonded H&lt;sub&gt;2&lt;/sub&gt; moieties. Activation of these H&lt;sub&gt;2&lt;/sub&gt; moieties is implied by the elongation of their bond lengths relative to the bond length of free H&lt;sub&gt;2&lt;/sub&gt;. The calculated structures of PtMgH&lt;sub&gt;5&lt;/sub&gt;&lt;sup&gt;−&lt;/sup&gt; and PtMgH&lt;sub&gt;5&lt;/sub&gt; both exhibit all-hydrogen, five-member, σ-aromatic rings. These attributes are responsible for this anion's special stability.</dcterms:abstract>
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