Infrared and ultraviolet spectroscopic characterization of trifluoroacetaldehyde
- 20 August 1992
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 76 (6) , 1433-1441
- https://doi.org/10.1080/00268979200102201
Abstract
Trifluoroacetaldehyde, CF3C(O)H, has been synthesized and purified, and its infrared (4000–600 cm-1) and ultraviolet (400–230 nm) spectra have been measured. The assignments of the vibration frequencies have been re-examined with the aid of ab initio Hartree-Fock frequency and intensity calculations. A normal coordinate analysis has also been performed with a force field determined at the MP2/6-31G* level. Additionally, the complete equilibrium geometry has been determined at the MP2/6-31G* level and compared to the experimental structure. Peak and integrated absorption cross-sections of the v 1, v 2, v 4 and v 6 fundamental infrared bands of trifluoroacetaldehyde have been measured at 298 K. Ultraviolet absorption cross-sections (230–400 nm) have been measured.Keywords
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