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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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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