Abstract
A new analysis is given of the CsNpF6 optical spectrum, which removes several features of a previous analysis which were questionable. Possible vibronic structure, SCF–Xα–SW calculations, and analyses of related compounds have been used as a basis for the present investigation. It was found that configuration interaction effects are significant and cannot be neglected. By inclusion of linear CI terms, a fit to 33 assigned levels gave an rms deviation of 140.6 cm−1 in a least-squares refinement. The parameters determined are F2=202.2, F4=14.26, F6=1.517, ζ=2137, A4〈r4〉=1431, A6〈r6〉=112.6, α=195.2, β=−5798, and γ=9582 cm−1.
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