Journal of Physical Chemistry A, Vol.118, No.34, 6985-6990, 2014
Reverse Intersystem Crossing in Rhodamines by Near-Infrared Laser Excitation
The population of the long-lived first excited triplet state (T-1) of a fluorescence dye represents a major limitation in single-molecule spectroscopy. Reverse intersystem crossing (ReISC) is one of the processes that may prevent considerable loss of luminescence. In the present quantum chemical study we have analyzed rhodamine A in aqueous environment. The T-2 -> S-1 and T-3 -> S-2 ReISC channels are predicted to be viable. The rate constant computed for the former channel is approximate to 2 x 10(6) s(-1) Hence, an excitation with suitable wavelength to one of the triplets should help repopulate the optically bright singlet state S-1.