Conformational analysis of benzenediols: pyrocatechol,resorcinol and hydroquinone |
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| Authors: | S.A. Kudchadker B.J. Zwolinski |
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| Affiliation: | Thermodynamics Research Center, Texas A & M University, College Station, Texas 77843 U.S.A. |
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| Abstract: | Molecular orbital calculations are carried out for pyrocatechol, resorcinol and hydroquinone. The structural parameters, stable conformations, potential barrier heights, dipole moments and charges for these molecules are discussed. Only one stable isomer for pyrocatechol, three for resorcinol and two for hydroquinone are established. |
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