Abstract
The conformations of phenol, anisole and guaiacol, especially solvent effect on the intra-molecular hydrogen bond were computed with semi-empirical molecular orbital calculation, MOPAC2000. Solvent effect on the conformations of phenol and anisole appears minimal. However, the optimum conformation of guaiacol was transformed from cis- to trans-forms by increase of specific conductivity of the solvent. This effect would be due to the break of intra-molecular hydrogen bond between phenolic hydroxyl and methoxyl groups caused by perturbation from polar solvents.
