Multireference perturbation theory (MRPT2) study on N2O capture and activation by excited states of Rh atom and cation

► The Rh (a 4F) ground state atom is not able to capture the N2O (1Σ+) ground state ► Rh excited states (b 6A′ and e 8A″) present N2O capture and activation. ► Rh+ (X 3A′′) cation ground state only captures N2O (1Σ+) ground state. ► The unique Rh+ cation excited state which captures and activates N2O is Rh+ (d 7A′). ► There is no way to get N2O activation by means of a transition state as was proposed by other authors.