FLUORESCENCE AND ULTRAVIOLET ABSORPTION SPECTRA AND RING-TWISTING POTENTIAL ENERGY FUNCTIONS OF 1,2-DIHYDRONAPHTHALENE IN ITS $S_{0}$ AND $S_{1}$ STATES

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2002

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Ohio State University

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The fluorescence excitation spectra (FES), dispersed fluorescence (SVLF) spectra, and ultraviolet absorption spectra of 1,2-dihydronaphthalene have been collected and analyzed. The S1(π,π) electronic band origin is at 34,096cm−1. The FES for the jet-cooled molecules shows the four lowest frequency vibrations in the S1 state to be at 107, 122, 197, and 293cm−1; while the SVLF from several excitation bands shows these to be at 131, 149, 267 and 347cm−1 in the S0 state. For both states almost all of the transition frequencies below 800cm−1 can be assigned as combinations of these low-frequency modes. The series of bands beginning with 131cm−1 for S0 and 122cm−1 for S1 were analyzed to determine the ring-twisting potential energy functions. For the S0 state the barrier of about 1300cm−1 is somewhat higher than that (1132cm−1) for the analogous molecule 1,3-cyclohexadiene. For the S1 state the barrier increases significantly.

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

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