THE RING-PUCKERING VIBRATION AND POTENTIAL FUNCTION OF 3-METHYLTHIETAN - A REEXAMINATION OF THE MICROWAVE AND FAR-INFRARED DATA

An attempt has been made to account for the ring-puckering vibrational dependence of the quartic centrifugal distortion constants of 3-methylthietan. The calculations indicate revised assignments for the excited vibrational states in the microwave spectrum and for some of the transitions in the far-infrared spectrum of the ring-puckering vibration. The resulting potential function has a slightly higher barrier to ring inversion for the more stable equatorial conformer and a larger energy difference between the equatorial and axial conformers than that proposed previously. © 1990.