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Theoretical ab initio investigation performed for the LinFn+1− anionic systems (n=2–5) revealed that their most stable isomers correspond to the high-symmetry compact molecular structures exhibiting relatively large excess electron binding energies (exceeding 10eV). The formation of these polynuclear superhalogen anions was found to proceed spontaneously by a consecutive barrier-less attachment of...
The vertical electron detachment energies (VDEs) of twenty MX 3- (M=Mg, Ca; X=F, Cl, Br) anions were calculated at the OVGF level with the 6-311++G(3df) basis sets. The largest vertical electron binding energy was found for MgF 3- system (8.793 eV). All negatively charged species possess the VDEs that are larger than 5.9 eV and thus may be termed superhalogen anions. The...
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