A molecular orbital study of the changes that accompany rotation of the HO group in phenol, and the barrier height
- 1 August 1986
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 139 (1-2) , 63-74
- https://doi.org/10.1016/0166-1280(86)80107-5
Abstract
No abstract availableThis publication has 37 references indexed in Scilit:
- Microwave spectra of the six mono-13C-substituted phenols and of some monodeuterated species of phenol. Complete substitution structure and absolute dipole momentJournal of Molecular Structure, 1979
- Far-infrared gas spectra of phenol, 4-fluorophenol, thiophenol and some deuterated species: barrier to internal rotationJournal of Molecular Structure, 1974
- Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenesJournal of the American Chemical Society, 1972
- Analysis of microwave and infrared transitions of phenol by rotation-internal rotation theoryJournal of Molecular Spectroscopy, 1971
- Microwave spectra of the six monodeuteriophenols. Molecular structure, dipole moment, and barrier to internal rotation of phenolJournal of Molecular Structure, 1969
- Contributions of Internal Rotation to the Rotational Coefficients in PhenolThe Journal of Chemical Physics, 1968
- Internal Rotation in Completely Asymmetric Molecules. III. Theory for Molecules with Twofold Potential BarriersThe Journal of Chemical Physics, 1967
- The 2750-Å band system of phenolJournal of Molecular Spectroscopy, 1967
- The vibrational spectrum and torsion of phenolJournal of Molecular Spectroscopy, 1967
- Microwave Spectra of Some Isotopically Substituted PhenolsThe Journal of Chemical Physics, 1966