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Photoelectron spectroscopic and computational study of the PtMgH<sub>3,5</sub>− cluster anions

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

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Prüfsumme: MD5:fa2ac10dc2efd30edd87f7f3920bf03f

ZHANG, 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. 18(28), pp. 19345-19349. ISSN 1463-9076. eISSN 1463-9084. Available under: doi: 10.1039/C6CP03243E

@article{Zhang2016Photo-35386, title={Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anions}, year={2016}, doi={10.1039/C6CP03243E}, 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} }

2016-09-22T14:26:07Z Zhang, Xinxing Alexandrova, Anastassia N. Photoelectron spectroscopic and computational study of the PtMgH<sub>3,5</sub>− cluster anions 2016 eng Ganteför, Gerd Alexandrova, Anastassia N. Bowen, Kit Bowen, Kit Ganteför, Gerd 2016-09-22T14:26:07Z Zhang, Xinxing The two cluster anions, PtMgH<sub>3</sub><sup>−</sup> and PtMgH<sub>5</sub><sup>−</sup>, 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<sub>3</sub><sup>−</sup> and PtMgH<sub>3</sub> both exhibit η<sub>2</sub>-bonded H<sub>2</sub> moieties. Activation of these H<sub>2</sub> moieties is implied by the elongation of their bond lengths relative to the bond length of free H<sub>2</sub>. The calculated structures of PtMgH<sub>5</sub><sup>−</sup> and PtMgH<sub>5</sub> both exhibit all-hydrogen, five-member, σ-aromatic rings. These attributes are responsible for this anion's special stability.

Dateiabrufe seit 22.09.2016 (Informationen über die Zugriffsstatistik)

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