화학공학소재연구정보센터
Chemical Physics Letters, Vol.493, No.4-6, 234-237, 2010
A strongly bound OF3- anion and its unstable parent neutral OF3 species
The OF3 species was identified as a weakly bound [F...OF2] van der Waals complex ( vulnerable to the fluorine atom loss) whereas its cationic and anionic daughters were found to be stable species ( not susceptible for any fragmentation process). The OF3- anion was predicted to be geometrically, electronically, and thermodynamically stable system with the vertical electron detachment energy of 5.534 eV ( as calculated at the outer valence Green function level ( OVGF) with the 6-311+G(3df) basis set). (C) 2010 Elsevier B. V. All rights reserved.