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Aluminum Zintl anion moieties within sodium aluminum clusters

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2014

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Wang, Haopeng
Zhang, Xinxing
Ko, Yeon Jae
Grubisic, Andrej
Li, Xiang
Schnöckel, Hansgeorg
Eichhorn, Bryan W.
Lee, Mal-Soon
Jena, Purusottam
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https://doi.org/10.1063/1.4862989
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The Journal of Chemical Physics. 2014, 140(5), 054301. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4862989

Zusammenfassung

Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have established that aluminum moieties within selected sodium-aluminum clusters are Zintl anions. Sodium-aluminum cluster anions, NamAln-, were generated in a pulsed arc discharge source. After mass selection, their photoelectron spectra were measured by a magnetic bottle, electron energy analyzer. Calculations on a select sub-set of stoichiometries provided geometric structures and full charge analyses for both cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra), and fragment molecular orbital based correlation diagrams.

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ISO 690WANG, Haopeng, Xinxing ZHANG, Yeon Jae KO, Andrej GRUBISIC, Xiang LI, Gerd GANTEFÖR, Hansgeorg SCHNÖCKEL, Bryan W. EICHHORN, Mal-Soon LEE, Purusottam JENA, Anil K. KANDALAM, Boggavarapu KIRAN, Kit H. BOWEN, 2014. Aluminum Zintl anion moieties within sodium aluminum clusters. In: The Journal of Chemical Physics. 2014, 140(5), 054301. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.4862989
BibTex
@article{Wang2014Alumi-30879,
  year={2014},
  doi={10.1063/1.4862989},
  title={Aluminum Zintl anion moieties within sodium aluminum clusters},
  number={5},
  volume={140},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Wang, Haopeng and Zhang, Xinxing and Ko, Yeon Jae and Grubisic, Andrej and Li, Xiang and Ganteför, Gerd and Schnöckel, Hansgeorg and Eichhorn, Bryan W. and Lee, Mal-Soon and Jena, Purusottam and Kandalam, Anil K. and Kiran, Boggavarapu and Bowen, Kit H.},
  note={Article Number: 054301}
}
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