Dumont, Elise; Loos, Pierre-Francois; Laurent, Adele D; Assfeld, Xavier
The gas-phase electron attachment of thiaselena and diselena derivatives is investigated on model organic systems by ab initio calculations (level of theory MP2/DZP++). Electronic contributions favor the one-electron addition on selenium-containing compounds, with adiabatic electron affinities of 0.03, 0.24, and 0.43 eV, respectively, for dimethyldisulfide, dimethylselenenylsulfide, and dimethyldiselenide. This ensures the possibility of an excess electron, binding on - Se - S - and - Se - Se -...[Show more]
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