On the intrinsic stability of the isolated dichromate dianion: Collision activated dissociation of a multiply charged anion via electron detachment

摘要: Abstract Low-energy collision-induced dissociation in a quadrupole ion-trap (resonance excitation) has been used to investigate the intrinsic stability of dichromate dianion, Cr2O72−. Upon isolation Cr2O72− and subsequent resonant excitation, lowest energy activated decay pathway corresponds electron detachment with concomitant production Cr2O7− monoanion. This behaviour is distinctive since all previously studied small dianionic transition metal ions (e.g., Pt(CN)42−) preferentially via ionic fragmentation pair monoanions upon resonance excitation. Since can occur tunnelling through coulomb barrier, indicates that barrier for occurs at either lower than fragmentation, or broadly similar energy. A series density functional theory calculations were performed compare potential surfaces The indicate lies below Cr2O72−, consistent experimental observations. dianion be fully understood reference computed attributed strong covalent bonding exists within this molecular anion.