Accurate Determination of the Ground State Constants of H3SiF IncludingA0andD0Kfrom the ν6, 2ν±26- ν±16, and 2ν∓26Rovibrational Bands
Abstract
In order to determine ground state parameters, high-resolution FTIR spectra of H3SiF have been studied in the ν3/ν6(620-960 cm-1) and 2ν6/ν3+ ν6/2ν3(1300-1800 cm-1) regions. The fundamentals ν3and ν6, the combination band ν3+ ν6, and the overtones 2ν06, 2ν∓26, and 2ν3have been assigned. Using “ordinary” ground state combination differences obtained from the ν3and ν6bands, improved ground state parametersB0,D0J,D0JK,H0J,H0JK, andH0KJwere determined for the main isotopomer H328SiF. The hot bands 2ν±26- ν±16, 2ν06- ν∓16, and (ν3+ ν±16) - ν±16of H328SiF have been assigned. The ν6, 2ν∓26, and 2ν±26- ν±16bands were used for the first experimental determination of the ground state constantsA0andD0K, whereas (ν3+ ν±16) - ν±16and 2ν06- ν∓16served for calibration purposes. Ground state differences Δ(K,J) =E0(K,J) -E0(K- 3,J) could be calculated forK= 2 to 12. By a least-squares fit of 523 such differences, we obtained the following results (in cm-1):A0= (2.8378883 ± 0.0000046) andD0K= (1.9236 ± 0.0020) × 10>-5.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- February 1997
- DOI:
- 10.1006/jmsp.1996.7186
- Bibcode:
- 1997JMoSp.181..424C