15min:
THE MICROWAVE STUDIES OF GUAIACOL (2-METHOXYPHENOL) ISOTOPOLOGUES AND VAN DER WAALS COMPLEXES.

RANIL M. GURUSINGHE, ASHLEY FOX AND MICHAEL J. TUBERGEN, Department of Chemistry, Kent State University, Kent, OH 44242.

The microwave spectrum of one conformer of guaiacol, 2-methoxyphenol, was recorded in the 12-21 GHz range. Fifty two rotational transitions were fitted to the lowest energy ab initio structure computed with Hatree-Fock method using the 6-311++G(d,p) basis set. The fitted rotational constants are: A= 2607.0664(6) MHz, B= 1560.7967(2) MHz, C= 982.8721(1) MHz. Microwave spectra were recorded for each of seven unique 13C isotopomers and the deuterated hydroxyl isotopomer. Quantum chemical calculations and the spectral analysis indicate that the observed conformer is the anti-syn form of guaiacol. Progress on the assignment of the Argon-guaiacol complex and water-guaiacol complex will also be presented.