Theoretical calculations on the potential energy curves of electronic states of CF and CF+
The radical CF and the cation CF+ are systems of particular interest in in the chemistry of interstellar fluorine as well as in materials plasma processing.
The first comprehensive theoretical work on the electronic structure of the CF radical was carried out by I.D. Petsalakis (J. Chem. Phys. 110 (1999) 10730) and on CF+ by G. Theodorakopoulos and I.D. Petsalakis (Chem. Phys. 254 (2000) 181)). The most recent work, (Chem. Phys. Lett. 508 (2011) 17), involved calculations towards the rationalization of production of ground state F(2Po) + C(3P), and F(2Po) + C(1D) fragments from the dissociative recombination of CF+ + e- (O. Novotny, et. al J. Phys.: Conf. Ser. 192 (2009) 012021).
Fig.1 Experimental ion beam results (A. Wolf, Max Plank Institute for nuclear physics, Heidelberg)
Our calculations determined Rydberg states of CF, between the two lowest ionization limits, correlating with the two lowest dissociation limits.
Figure 2: 2Ó+ electronic states of CF
Figure 3: 2B1 electronic states of CF
Figure 4: 2A2 electronic states of CF
Figure 5: Electronic states of CF between the lowest two ionization limits
Figure 6: 2Ð states of CF between the lowest two ionization limits