Simple calculations of Franck-Condon factors for electronic transition bands of polyacenes |
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Authors: | Koichi Ohno |
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Institution: | Department of Chemistry, The University, Sheffield S3 7HF, UK |
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Abstract: | Progressional intensities have been calculated for the La and Lb transitions of the polyacenes, on the basis of semi-empirical SCF CI calculations of geometry changes upon electronic excitation and from normal analyses. The results give the Franck-Condon intensity distributions over various totally symmetric modes in good agreement with the vibrational structures observed in high resolution spectra. |
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