Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds
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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|Source:||International Journal of Quantum Chemistry|
|01_Dumont_Electronic_effects_and_ring_2010.pdf||250.11 kB||Adobe PDF||Request a copy|
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