THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF CHF3

Ab initio configuration-interaction (CI) calculations for the first electronic states and for the first six ionization potentials of trifluoromethane are reported. The UV spectrum is analyzed and the nature of the Rydberg transition is discussed in terms of the analysis of calculated charge transfer of each state. It is clearly seen that the distinction among type s, p, or d Rydberg states is difficult to establish and that the more intense broadband (B region) results from the overlapping of transition with different natures and intensities.