Two-Dimensional Anharmonic Oscillator. Application to 2,5-Dihydrofuran

Abstract

A program has been developed to calculate the energy levels and corresponding wavefunctions for a two-dimensional anharmonic potential surface of at least C2v symmetry. This program has been employed to explain the high resolution splittings observed in the far infrared spectrum of 2,5-dihydrofuran. The magnitude of the cross term connecting the ring-twisting and ring-puckering modes of 2,5-dihydrofuran is sufficiently large to be significant. The potential surface determined also suggests that the ring-twisting mode may be slightly anharmonic.