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 C_2v 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.