Title of article :
The saturation of the excess electron binding energy in (n = 1–5) anions
Author/Authors :
Sikorska، نويسنده , , Celina and Skurski، نويسنده , , Piotr، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2012
Abstract :
The excess electron binding energies for the series of Al n F 3 n + 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 Al n F 3 n + 1 - (n = 1–5) anions is estimated for Al 4 F 13 - species.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters