FAR-INFRARED SPECTRA AND TWO-DIMENSIONAL POTENTIAL ENERGY SURFACES FOR THE OUT-OF-PLANE RTNG VIBRATIONS OF TETRAHYDROFURAN-3-ONE IN ITS S0 AND $S_{1}(n,\pi^{*})$ ELECTRONIC STATES
Loading...
Date
1997
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
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 corresponding to twisted conformations. A potential energy surface for the $S_{1} (n,\pi^{*}$) excited state, based on previous fluorescence excitation data, was also calculated.
Description
Author Institution: Department of Chemistry, Texas A\&M University