The reaction energies of ethylene, CO, and N 2 with proton, hydrogen atom, and hydride ion

It is shown by quantum chemical simulation (MP2/aug-cc-pVTZ) that the energy of addition of H +, H ̇, and H - decreases in the order ethylene, CO, and N 2. The energies of additions of CF 4, dimethyl ether, and BF 3 to the ions and radicals formed were calculated. Unlike the CH 3CH 2 - ion, the HCO - ion can add exothermically not one, but two BF 3 molecules. © 2011 Springer-Verlag.