MICROWAVE SPECTROSCOPY OF BUTAN-2-OL - CONFORMATIONS, COMPLEXES AND CLUSTERS

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2002

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Ohio State University

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Abstract

The first rotationally-resolved spectrum of a van der Waals complex formed between two chiral molecules will be presented. The complex is a hetero-chiral dimer of butan-2-ol and the spectrum was observed by Fourier Transform Microwave Spectroscopy in a supersonic expansiona. The results of the ab initio calculations used to identify the dimer will also be presented. The microwave spectrum of a complex formed between a butan-2-ol molecule and an argon atom will also be discussed, including a limited amount of structural analysisb. This too will be accompanied by an ab initio study. Finally, mention will be made of the detection of six of the nine possible conformational isomers of the butan-2-ol molecule in expansions of argon and heliumc. There are still a large number of unassigned lines in the spectrum of butan-2-ol, some of which must be due to the homo-chiral dimer. Work to assign them is ongoing, any new results will be presented.

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aA. K. King and B. J. Howard Chem. Phys. Lett. 348(343), 2001. bA. K. King and B. J. Howard J. Mol. Spectrosc., Submitted for publication. cA. K. King and B. J. Howard J. Mol. Spectrosc. 201/1(38), 2001.


Author Institution: Physical and Theoretical Chemistry Department, University of Oxford

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