4.6 Article

Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1]- (n=1-5, 7, 9, 12) anions

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CHEMICAL PHYSICS LETTERS
卷 487, 期 1-3, 页码 19-23

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ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2010.01.022

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  1. Polish State Committee for Scientific Research [DS/8371-4-0137-9]
  2. Academic Computer Center in Gdansk (TASK)

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The vertical electron detachment energies (VDE) of a series of [HnFn+1](-) anions (where n = 1-5, 7, 9, 12) were calculated at the outer valence Green function level with the 6-311++G(3df,3pd) basis sets. Enormously large electron binding energies of these anions (in the 6.98-13.87 eV range) were predicted and discussed. The [H12F13] species with the VDE of 13.87 eV was identified as the most strongly bound anion studied and described in the literature thus far. (C) 2010 Elsevier B.V. All rights reserved.

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