3,3-Dimethyl-2-butanone: Infrared and Raman Spectra, Normal Coordinate Calculations, and Calculated Structure

Abstract

Infrared and Raman spectra were obtained for 3,3-dimethyl-2-butanone, and the spectra were interpreted with the aid of normal coordinate calculations. The spectra can be explained by the presence of only one conformation. The vibrational assignment and force constants that were obtained are given in this paper, along with some results of MM+, AM1, and PM3 semiempirical molecular orbital calculations.

Key Words:

• 3,3-Dimethyl-2-butanone
• Infrared spectra
• Raman spectra
• Normal coordinate analysis
• Molecular structure calculations