Structural and conformational properties of 1,1,1-trifluoro-2-propanol investigated by microwave spectroscopy and quantum chemical calculations.

@article{Mllendal2005StructuralAC,
  title={Structural and conformational properties of 1,1,1-trifluoro-2-propanol investigated by microwave spectroscopy and quantum chemical calculations.},
  author={H. M{\o}llendal},
  journal={The journal of physical chemistry. A},
  year={2005},
  volume={109 42},
  pages={
          9488-93
        }
}
  • H. Møllendal
  • Published 2005
  • Chemistry, Medicine
  • The journal of physical chemistry. A
The microwave spectrum of 1,1,1-trifluoro-2-propanol, CF(3)CH(OH)CH(3), and one deuterated species, CF(3)CH(OD)CH(3), have been investigated in the 20.0-62.0 GHz spectral region at about -50 degrees C. The rotational spectrum of one of the three possible rotameric forms was assigned. This conformer is stabilized by an intramolecular hydrogen bond formed between the hydrogen atom of the hydroxyl group and the nearest fluorine atoms. The hydrogen bond is weak and assumed to be mainly a result of… Expand
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