Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molecules

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Abstract

The SAC-CI method has been applied to the theoretical spectroscopy of the inner-shell electronic processes and the photochemistry of the organic light-emitting diodes (OLED) and biological chemosensors. Wide varieties of the core-electronic processes such as core-electron ionizations, shake-up satellites, vibrational excitations, valence–Rydberg coupling, and its thermal effect have been investigated by the SAC-CI calculations. The method has also been applied to the electronic spectra and the excited-state dynamics of the polymer materials of OLED such as poly para-phenylene vinylene and fluorene-thiophene. The photochemistry of the biological chemosensor has been elucidated in particular for the photo-induced electron transfer mechanism of the acridine-type fluorescent probe.

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Ehara, M., & Nakatsuji, H. (2009). Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molecules. In Progress in Theoretical Chemistry and Physics (Vol. 20, pp. 103–124). Springer Nature. https://doi.org/10.1007/978-90-481-2985-0_6

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