화학공학소재연구정보센터
Chemical Physics Letters, Vol.487, No.1-3, 19-23, 2010
Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1](-) (n=1-5, 7, 9, 12) anions
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.