The inversion potentials in the ground and the lowest excited singlet states of 9,10‐dihydroanthracene were deduced from the fit of the absorption and fluorescence spectra of jet‐cooled molecules to model potentials. The barrier height in the ground state (615 cm−1 ) is substantially larger than in the excited state (80 cm−1 ). Correspondingly, the folding angle in the ground state is smaller (144.6° vs 164.1°). Comparison of the calculated line intensities with the experimental absorption spectrum indicates that the transition dipole moment is dependent on the nuclear coordinate of the inversion mode. The measured quantum yield of the single vibronic level fluorescence is essentially independent of the quantum number and the symmetry of the inversion level excited.
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1 March 1991
Research Article|
March 01 1991
Inversion potentials in the ground and excited electronic states of 9,10‐dihydroanthracene as probed by the absorption and fluorescence spectra of jet‐cooled molecules Available to Purchase
Young‐Dong Shin;
Young‐Dong Shin
Department of Chemistry, The University of Akron, Akron, Ohio 44325‐3601
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Hiroyuki Saigusa;
Hiroyuki Saigusa
Department of Chemistry, The University of Akron, Akron, Ohio 44325‐3601
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Marek Z. Zgierski;
Marek Z. Zgierski
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ontario, K1A 0R6 Canada
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Francesco Zerbetto;
Francesco Zerbetto
Dipartimento di Chimica, University of Bologna, 40126 Bologna, Italy and Steacie Institute for Molecular Sciences, National Research Council of Canada, Ontario, K1A 0R6 Canada
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Edward C. Lim
Edward C. Lim
Department of Chemistry, The University of Akron, Akron, Ohio 44325‐3601 and Steacie Institute for Molecular Sciences, National Research Council of Canada, Ontario, K1A 0R6 Canada
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Young‐Dong Shin
Department of Chemistry, The University of Akron, Akron, Ohio 44325‐3601
Hiroyuki Saigusa
Department of Chemistry, The University of Akron, Akron, Ohio 44325‐3601
Marek Z. Zgierski
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ontario, K1A 0R6 Canada
Francesco Zerbetto
Dipartimento di Chimica, University of Bologna, 40126 Bologna, Italy and Steacie Institute for Molecular Sciences, National Research Council of Canada, Ontario, K1A 0R6 Canada
Edward C. Lim
Department of Chemistry, The University of Akron, Akron, Ohio 44325‐3601 and Steacie Institute for Molecular Sciences, National Research Council of Canada, Ontario, K1A 0R6 Canada
J. Chem. Phys. 94, 3511–3516 (1991)
Article history
Received:
November 09 1990
Accepted:
December 05 1990
Citation
Young‐Dong Shin, Hiroyuki Saigusa, Marek Z. Zgierski, Francesco Zerbetto, Edward C. Lim; Inversion potentials in the ground and excited electronic states of 9,10‐dihydroanthracene as probed by the absorption and fluorescence spectra of jet‐cooled molecules. J. Chem. Phys. 1 March 1991; 94 (5): 3511–3516. https://doi.org/10.1063/1.459772
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