FTIR spectroscopy of three fundamental bands of H2F+
- Authors
- Fujimori R., Hirata Y., Morino I., Kawaguchi K.
- Journal
- J. Phys. Chem. A, 117, 9882-9888
- DOI
- 10.1021/jp312863e
- Abstract
- The ν1, ν2, and ν3 bands of H2F+ were observed with a Fourier transform absorption spectroscopic technique in the 3 and 7 µm regions. The ion was produced with a hollow cathode discharge in a F2, He, and H2 gas mixture. A simultaneous analysis of FT data combined with laser spectroscopic data was carried out using the Watson’s A-reduced Hamiltonian to determine molecular constants in vibrationally excited states. The effect of the vibration−rotation interaction between the ν1 and ν3 states was found to be small compared with the case of H2O. The vibration-rotation transitions of the ν2 band were first identified and analyzed to obtain molecular constants in the ν2 state, and the band origin was determined to be 1370.5236(7) cm−1 with one standard deviation in parentheses. Determined molecular constants can be used to derive the re structure of H2F+ as re(H-F) = 0.9608(6) Å, ∠e(H-F-H) = 112.2(2)° with the error corresponding to the uncertainty of the assumed vibration rotation constant γ2a and the range of the values derived from three pairs of rotational constants.