Rovibrational Spectroscopy of the v5 = 1 Level of 28SiDF3

Radiofrequency, Centimeter-Wave, Millimeter-Wave, and Infrared Spectra of SiHF3: Investigation of the Ground, v4 = 1, and v6 = 1 Vibrational States

“…The results obtained for both isotopomers will provide additional precise molecular parameters which are quite valuable for checking the reliability of the force field which was recently calculated up to the quartic terms at the MP2 level of theory employing a basis set of polarized valence triple zeta quality (9). For this purpose, 4 and 6 of 28 SiHF 3 are the only candidates because 5 is perturbed by 2 and 2 3 .…”

“…Recently we published results on high-resolution spectra in the radiofrequency, centimeter-wave, millimeter-wave, and infrared ranges of the deuterated isotopomer of trifluorosilane, SiDF 3 , in the ground and the fundamental vibrational states v 4 ϭ 1 (1) and v 6 ϭ 1 (2). The analysis of the v 5 ϭ 1 state of SiDF 3 (3) as well as the analyses of the v 1 ϭ 1 and v 3 ϭ 1 states (4) of both SiHF 3 and SiDF 3 are completed and will be presented later.…”

“…The analysis of the v 5 ϭ 1 state of SiDF 3 (3) as well as the analyses of the v 1 ϭ 1 and v 3 ϭ 1 states (4) of both SiHF 3 and SiDF 3 are completed and will be presented later.…”

“…The data obtained for SiDF 3 in the excited degenerate states were used to test the unitary equivalence of parameter sets (5) obtained from three different reduced forms of the effective Hamiltonian. These reduction schemes were first proposed by Lobodenko et al (6) and further developed by Watson et al (7) and Harder (8) for an isolated degenerate state of a symmetrictop molecule of C 3v symmetry, which allowed the testing of recently derived relations between the parameters of the different reductions (8,7).…”

High-Resolution Infrared and Millimeter-Wave Study of the Fermi-Coupled v2 = 1 and v3 = 2 States of DSiF3

“…A 1 According to experimental studies, the degenerate fundamentals 4 (7), 5 (5), and 6 (6) are almost textbook examples of bands reaching isolated, unperturbed rovibrational states to which the concept of unitary equivalent reductions of the rovibrational Hamiltonian was successfully applied and further developed.…”