Infrared Absorption Spectra in the Hydroxyl Stretching Regions of Gaseous Tropolone OHO Isotopomers
Fourier transform infrared (FTIR) absorption spectra in the 2000 to 3500 cm-1 range are reported for the gaseous 16O,16O- and 18O,18O- isotopomers of tropolone[OH(OD)] at 25oC. The spectral doublet component separations are near 20 and 19 cm-1 for 16O,16O- and 18O,18O-Tp(OH), respectively, and near 7 and 6.5 cm-1 for 16O,16O- and 18O,18O-Tp(OD). The spectra suggest the tautomerization tunneling mechanisms in these states are complex multidimensional processes including the participation of IVR. In general, the OHO isotope effects demonstrate a mixing of O atom displacement coordinates into the intramolecular dynamics for most of the vibrational states observed in the fundamental CH/OH(OD) stretching regions.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 949930
- Report Number(s):
- PNNL-SA-59761; 2371a; KP1704020
- Journal Information:
- Zeitschrift fur Physikalische Chemie--International Journal of Research in Physical Chemistry and Chemical Physics, 222(8-9):1197-1211, Journal Name: Zeitschrift fur Physikalische Chemie--International Journal of Research in Physical Chemistry and Chemical Physics, 222(8-9):1197-1211 Journal Issue: 8-9 Vol. 222
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ABSORPTION SPECTRA
DYNAMICS
ELECTRONIC-SPECTRA
Environmental Molecular Sciences Laboratory
FTIR SPECTRUM
Hydroxyl Stretching Couplings
INFRARED SPECTRA
ISOTOPE EFFECTS
Isotope EffectsJET-COOLED TROPOLONE
KETONES
MALONALDEHYDE
OXYGEN ISOTOPES
SPECTROSCOPY
STATES
SYSTEM
Spectral Tunneling Doublets
Tropolone
VAPOR
VIBRATIONAL STATES
VIBRATIONAL-EXCITATION