On the Fluorine Molecule. II. Energy Levels of F2 and F2+

Abstract

The same ASMO treatment as in Part I [K. Hijikata, J. Chem. Phys. 34, 221 (1961), preceding paper] is applied to the fluorine molecule with several pairs of effective nuclear charges, and the best value of the effective nuclear charge is determined for each state. The ground state 1Σg+ has De=2.02 ev, Re=1.437 A and the effective nuclear charge 2.58. It is found that the explanation for the effective nuclear charge of each state from the ``atomic point of view'' is difficult. The vertical excitation energies 1Σg+—1Πu, 1Σg+—3Πu, and 1Σg+—1Πg are calculated to be 4.49, 3.73, and 6.50 ev, respectively. The lower energy levels of the molecular ion F2+ are also calculated, showing that the ground state is 2Πg, that two more states appear to have potential minima, and that the higher energy levels of F2 calculated by ASMO are almost meaningless except 1Σu+. The energy level of this ionic state 1Σu+ at R=1.625 A is 10.8 ev above the minimum of 1Σg+. The energy diagram summarizing the calculations is shown. The discrepancy is indicated between the experimental and the theoretical ionization potentials.

Development and characterization of high-repetition-rate sources for supersonic beams of fluorine radicals

“…These are associated with fs-laser multiphoton dissociation of molecular fluorine producing F atoms in a variety of internal states. 33 In contrast to (3+1) REMPI ionization, the multiphoton excitation and ionization by the fs laser partly also produces slow F + ions which appear in the center of the image and mask the contribution of F atoms generated by the discharge, as can be seen in Fig. 6(a).…”