Radio-Frequency, Centimeter-Wave, Millimeter-Wave, and Infrared Spectra of SiDF(3) in the v(6) = 1 Excited State

• Published in: Journal of molecular spectroscopy Vol. 196; no. 2; pp. 175 - 188
• Main Authors: Margulès, L, Cosléou, J, Bocquet, R, Demaison, J, Mkadmi, EB, Bürger, H, Wötzel, U, Harder, H, Mäder, H
• Format: Journal Article
• Language: English
• Published: United States 01.08.1999
• ISSN: 0022-2852

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, SiDF(3), in its lowest degenerate excited v(6) = 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 A(1)-A(2) 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, q(12), and epsilon, respectively, while the other two are fixed to zero. In addition to further higher order constants, either f(K)(22) or tau(K) 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 C(0) has been accurately determined. Copyright 1999 Academic Press.