Acetylketene: Conformational Isomerism and Photochemistry. Matrix Isolation Infrared and Ab Initio Studies

CO Kappe, MW Wong, C Wentrup

Index: Kappe, C. Oliver; Wong, Ming Wah; Wentrup, Curt Journal of Organic Chemistry, 1995 , vol. 60, # 6 p. 1686 - 1695

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Citation Number: 69

Abstract

The sZ and sE conformers of acetylketene (5) were generated by flash vacuum pyrolysis (FVP) and matrix photolysis of precursors 1-4. Both conformers were characterized by low- temperature IR spectroscopy in argon, xenon, and nitrogen matrices. The observed frequencies and intensities are in excellent agrement with ab initio calculations at the MP2/6- 31G* level. UV irradiation of s-21s-E-6 in nitrogen or xenon matrices allows the clean ...