15min:
FAR-INFRARED SPECTRA AND TWO-DIMENSIONAL POTENTIAL ENERGY SURFACES FOR THE OUT-OF-PLANE RING VIBRATIONS OF TETRAHYDROFURAN-3-ONE IN ITS S0 AND S1(n,pi*) ELECTRONIC STATES.

SOO-NO LEE, NIKLAS MEINANDER, PAUL SAGEAR AND JAAN LAANE, Department of Chemistry, Texas A\&M University, College Station, Texas 77843-3255; , .

The far-infrared spectra of tetrahydrofuran-3-one show ring-bending (100 - 120 cm-1), ring-twisting (227 - 237 cm-1), difference (115 - 137 cm-1), sum (320 - 350 cm-1) and overtone (200 - 225 cm-1) bands. A two-dimensional potential energy surface for the twisting and bending was determined and this has minima corresponding to twisted conformations. A potential energy surface for the S1(n,pi*) excited state, based on previous fluorescence excitation data, was also calculated.