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Updated: Jan 21, 2026

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
Published on: August 19, 2021
Calculating rate constants for intersystem crossing and internal conversion in the Franck-Condon and Herzberg-Teller
Rashid R Valiev1, Victor N Cherepanov, Rinat T Nasibullin
1Tomsk State University, Lenin Avenue 36, Tomsk 634050, Russia. valievrashid@gmail.com.
Abstract:
Effective and fast algorithms for calculating rate constants for internal conversion (IC) and intersystem crossing (ISC) in the Franck-Condon and Herzberg-Teller approximations have been developed and implemented. The methods have been employed for calculating IC and ISC rate constants for the pyrromethene-567 dye (PM567), hetero[8]circulene (4B) and free-base porphyrin (H2P). The fluorescence quantum yields obtained by comparing calculated rate constants for the radiative and non-radiative processes are in good agreement with experimental data.
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