Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
94 (1991), S. 1327-1331
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.459990
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