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The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters

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2014

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Wang, Haopeng
Jae Ko, Yeon
Zhang, Xinxing
Schnoeckel, Hansgeorg
Eichhorn, Bryan W.
Jena, Puru
Kiran, Boggavarapu
Kandalam, Anil K.
Bowen, Kit H.

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https://doi.org/10.1063/1.4869104
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The Journal of Chemical Physics. 2014, 140(12), 124309. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4869104

Zusammenfassung

Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have investigated the extent to which the aluminum moieties within selected magnesium-aluminum clusters are Zintl anions. Magnesium-aluminum cluster anions were generated in a pulsed arc discharge source. After mass selection, photoelectron spectra of MgmAln - (m, n = 1,6; 2,5; 2,12; and 3,11) were measured by a magnetic bottle, electron energy analyzer. Calculations on these four stoichiometries provided geometric structures and full charge analyses for the cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra). Calculations revealed that, unlike the cases of recently reported sodium-aluminum clusters, the formation of aluminum Zintl anion moieties within magnesium-aluminum clusters was limited in most cases by weak charge transfer between the magnesium atoms and their aluminum cluster moieties. Only in cases of high magnesium content, e.g., in Mg3Al11 and Mg2Al12 -, did the aluminum moieties exhibit Zintl anion-like characteristics.

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530 Physik

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ISO 690WANG, Haopeng, Yeon JAE KO, Xinxing ZHANG, Gerd GANTEFÖR, Hansgeorg SCHNOECKEL, Bryan W. EICHHORN, Puru JENA, Boggavarapu KIRAN, Anil K. KANDALAM, Kit H. BOWEN, 2014. The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters. In: The Journal of Chemical Physics. 2014, 140(12), 124309. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4869104
BibTex
@article{Wang2014viabi-30938,
  year={2014},
  doi={10.1063/1.4869104},
  title={The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters},
  number={12},
  volume={140},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Wang, Haopeng and Jae Ko, Yeon and Zhang, Xinxing and Ganteför, Gerd and Schnoeckel, Hansgeorg and Eichhorn, Bryan W. and Jena, Puru and Kiran, Boggavarapu and Kandalam, Anil K. and Bowen, Kit H.},
  note={Article Number: 124309}
}
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