AlH3 and Al2H6: Magic clusters with unmagical properties

Citation
Bk. Rao et al., AlH3 and Al2H6: Magic clusters with unmagical properties, PHYS REV L, 86(4), 2001, pp. 692-695
Citations number
24
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
86
Issue
4
Year of publication
2001
Pages
692 - 695
Database
ISI
SICI code
0031-9007(20010122)86:4<692:AAAMCW>2.0.ZU;2-C
Abstract
Enhanced stability, low electron affinity, and high ionization potential ar e 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 satisfi es 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 lig ht, possesses the most unusual property that the difference between its adi abatic and vertical detachment energy is about 2 eV-the largest of any know n cluster. These results, based on density functional theory, are verified experimentally through photodetachment spectroscopy. DOI: 10.1103/PhvsRevLe tt.86.692.