Dumont, Elise; Loos, Pierre-Francois; Assfeld, Xavier
The possibility of excess electron binding of a series of (bi)cyclic, ring-constrained disulfides, in gas phase was investigated by ab initio MP2/6-31+G** calculations. It is shown that ring strain favors electron attachment, as neutral compounds are very sensitive to angular and dihedral compressions: cyclic disulfides will preferentially undergo a spontaneous electron capture compared to linear analogs, with superior positive values for adiabatic electron affinity. Cyclisation effect is...[Show more]
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