Radio-Frequency, Centimeter-Wave, Millimeter-Wave, and Infrared Spectra of SiDF3 in the v6 = 1 Excited State

Abstract

This paper deals with the first study of high-resolution radio-frequency, centimeter-wave, millimeter-wave, and infrared spectra of the deuterated isotopomer of trifluorosilane, SiDF3, in its lowest degenerate excited v6 = 1 state. Following the work of E. I. Lobodenko, O. N. Sulakshina, V. I. Perevalov, and Vl. G. Tyuterev, (J. Mol. Spectrosc. 126, 159–170 (1987)) and Harder (J. Mol. Spectrosc. 194, 145 (1999)), the data (18 A1–A2 transitions, 229 l-type resonance transitions, 189 pure rotational transitions, and 1167 rovibrational transitions) have been fitted using three equivalent Q, D, and QD reduction schemes enabling the fit of one of the three interaction parameters d, q12, and ϵ, respectively, while the other two are fixed to zero. In addition to further higher order constants, either fK22 or τK also had to be constrained. By checking the standard deviation of each data set and the relations between parameters determined within different constrains, the six reduction schemes have been shown to be unitary equivalent. Furthermore, the axial rotational ground state constant C0 has been accurately determined.