Proton tunneling dynamics and an isotopically dependent equilibrium geometry in the lowest excited π–π* singlet state of tropolone
- 15 August 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (4), 1546-1550
- https://doi.org/10.1063/1.440334
Abstract
Fluorescence and fluorescence excitation spectra have been observed for tropolone isolated in neon matrices near 4 K. The fluorescence spectra are vibrationally analyzed showing that specific geometrical changes in the excited state are dependent upon isotopic substitution of the phenolic proton. The intramolecular tunneling barrier is found to be substantially higher in the ground electronic state. The gas phase data of Alves and Hollas are analyzed showing that the tunneling reduced mass is very close to that of a free proton (deuteron).Keywords
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