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

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1997

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Ohio State University

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The far-infrared spectra of tetrahydrofuran-3-one show ring-bending (100−120cm−1), ring-twisting (227−237cm−1) difference (115−137cm−1), sum (320−350cm−1)and overtone (200−225cm−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 S1(n,π) excited state, based on previous fluorescence excitation data, was also calculated.

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Author Institution: Department of Chemistry, Texas A&M University

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