Superhalogen properties of ReFn (n ≥ 6) species

A systematic study on ReFn species for n = 1-7 in neutral and (mono) anionic forms has been performed using M06/aug-cc-pVTZ-PP method in density functional theory. The ground state structures are analyzed against dissociation to F atom and F-2 molecule. It is established that ReFn species are stabilized by addition of extra electron, except ReF3 and ReF5. The larger electron affinities of ReF6 and ReF7 reveal their superhalogen behavior due to extra electron delocalization over F atoms. (C) 2015 Elsevier B.V. All rights reserved.