Vibrationally resolved absorption and fluorescence spectra of flavins: A theoretical simulation in the gas phase

Abstract

Flavin is involved in a wide range of life processes. Flavin can exist in different forms due to its ability to transfer electron(s) in different physiological conditions.

Lightening flavin by amination for fluorescent sensing

“…These are in reasonable agreement with the Δ E ad values determined from calculations at the CASPT2 and PW6B95 levels of theory and experimentally of 2.82, 2.79 and 2.67 eV, respectively. 85–87 The consistency of the current results (Table 1) with those reported previously, suggest that the theoretical approaches proposed are adequate to investigate the photophysics of FLs (Fig. 1).…”