Vibrational spectra and assignment of acetone, ααα acetone-d3 and acetone-d6

Abstract Infrared and Raman spectra of acetone, acetone-d6 and ααα acetone-d3 have been measured and a vibrational assignment has been made. It is definitely established that the 484 cm−1 band of acetone is the B2, out-of-plane skeletal fundamental and that the 385 cm−1 band belongs to the A1 symmetrical CCC deformation mode. All the assigned fundamentals are fitted quite well by a reasonable modified Urey-Bradley potential—energy function. There is some evidence for an interaction between the two methyl groups.