New features in the ionic states of N2O4: Experimental and theoretical study
نویسندگان
چکیده
Synopsis We present a combined experimental and theoretical study focused on the ionic states of the N2O4 molecule. Experimental results regarding photoionization induced by the synchrotron radiation SOLEIL in the 13.5-15.5 eV energy range were obtained using the electron-ion velocity vector correlation method. The potential energy curves for the dissociation of the N-N bond were computed within ab initio multireference wave functions based methods (CASSCF and CASPT2) for the first electronic states of N2O4 and N2O4.
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