AlH3 and Al2H6 : magic clusters with unmagical properties

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PhysRevLett862001.pdf(257.15 KB)
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2001
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Rao, Bijan K.
Jena, Purusottam
Burkart, Stefan
Seifert, Gotthard
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urn:nbn:de:bsz:352-opus-87229
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10.17877/DE290R-12122
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Physical Review Letters ; 86 (2001), 4. - pp. 692-695
Abstract
Enhanced stability, low electron affinity, and high ionization potential are the hallmarks of a magic cluster. With an electron affinity of 0.28 eV, ionization potential of 11.43 eV, and a large binding energy, AlH3 satisfies these criteria. However, unlike other magic clusters that interact only weakly with each other, two AlH3 clusters bind to each other with an energy of 1.54 eV. The resulting Al2H6, while also a magic cluster in its own right, possesses the most unusual property that the difference between its adiabatic and vertical detachment energy is about 2 eV the largest of any known cluster. These results, based on density functional theory, are verified experimentally through photodetachment spectroscopy.
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ISO 690RAO, Bijan K., Purusottam JENA, Stefan BURKART, Gerd GANTEFĂ–R, Gotthard SEIFERT, 2001. AlH3 and Al2H6 : magic clusters with unmagical properties. In: Physical Review Letters. 86(4), pp. 692-695. Available under: doi: 10.17877/DE290R-12122
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@article{Rao2001Al2H6-4771,
  year={2001},
  doi={10.17877/DE290R-12122},
  title={AlH3 and Al2H6 : magic clusters with unmagical properties},
  number={4},
  volume={86},
  journal={Physical Review Letters},
  pages={692--695},
  author={Rao, Bijan K. and Jena, Purusottam and Burkart, Stefan and Ganteför, Gerd and Seifert, Gotthard}
}
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