Structure and stability of neutral and cationic AlnO clusters
Yang Peng(杨鹏)a), Ge Jian-Hua(葛建华)a), and Jiang Zhen-Yi(姜振益)b) c)†
a ISN National Key Laboratory, Xidian University, Xi'an 710071, China; b State Key Laboratory of Electrical Insulation for Power Equipment, Xi'an Jiaotong University, Xi'an 710049, Chinac Multidisciplinary Materials Research Center, Xi'an Jiaotong University, Xi'an 710049, China
Abstract In this paper various structural possibilities for AlnO neutral and cationic isomers were investigated by using the B3LYP/6-311G(3df) method. Calculations of this paper predicted the existence of a number of previously unknown isomers. The stabilities of the AlnO (n=2-7) clusters with even n are greater than those with odd n, however the stabilities of cationic ions have the opposite odd--even alternation. The mass spectra observations of Al17O+ and Al19O+ ions support our theoretical predictions on their stabilities.
Received: 10 June 2006
Revised: 10 July 2006
Accepted manuscript online:
PACS:
36.40.Mr
(Spectroscopy and geometrical structure of clusters)
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