Conformational analysis of 3,3-dimethylhexane

Abstract Infrared and Raman spectra were obtained for 3,3-dimethylhexane and were interpreted with the aid of normal coordinate calculations. It was shown that this compound exists in more than one molecular conformation. Two of those conformations were identified. Transferred force constant values resulted in an overall average difference between observed and calculated wavenumbers of 4.6 cm−1 for the two conformers.