期刊
CHEMICAL PHYSICS LETTERS
卷 536, 期 -, 页码 34-38出版社
ELSEVIER
DOI: 10.1016/j.cplett.2012.03.089
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资金
- Polish National Science Center (NCN) [N N204 201740]
- NCN [DS/8371-4-0137-2]
The excess electron binding energies for the series of AlnF3n+1-(n = 1-5) polynuclear superhalogen anions were calculated at the OVGF/6-311 + G(3df) level. An increase of the electronic stability of the anions is observed for n raising from 1 to 4, whereas its saturation is predicted when the number of central Al atoms achieves 4 (n = 4). The largest value of the excess electron detachment energy (12.40 eV) in the series of AlnF3n+1- (n = 1-5) anions is estimated for Al4F13- species. (C) 2012 Elsevier B. V. All rights reserved.
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