Photoionization of NaO (X (2)Pi; A (2)Sigma(+)) and the absorption/emission spectra of the lowest cationic states

CASSCF+MRCI calculations are performed on NaO(X(2)Pi and A(2)Sigma(+)) and NaO+(X(3)Sigma(-); a(1)Delta, A(3)Pi, b(1)Pi, c(1)Sigma(+) and d(1)Sigma(+) ). Potential energy curves are generated, and from these vibrational freque ncies, rotational constants and dissociation energies are derived. Franck-C ondon calculations are performed in order to simulate the photoelectron spe ctra that result from photoionization of the two lowest-lying neutral state s, and a comparison to a published spectrum is made. The pertinence of the results to atmospheric chemistry is considered. Finally, the Franck-Condon factors for the absorption/emission spectra of the two cationic transitions , A(3)Pi <-- X(3)Sigma(-) and b(1)Pi <-- a(1)Delta are calculated.