Low-energy-electron induced permanently reactive CO2 molecules

Abstract

Ab initio quantum chemical studies show that a very weak molecular complexation of CO₂ with a dipolar molecule is able to suppress the autoionization of the electron from its transient negative ion states. Since the autoionization is suppressed, the transient negative ion can efficiently relax its geometry to form the reductively activated CO₂ moiety. Unlike the reductively activated isolated CO₂ molecules, which are deactivated immediately due to their thermodynamic metastability, the reductively activated CO₂ moieties of the weak molecular complexes are infinitely long-lived and, hence, permanently reactive.