Structure-emission relationship of some coumarin laser dyes and related molecules: Prediction of radiative energy dissipation and the intersystem crossing rate constants

Dye lasers are commonly used in optical investigation because their solutions organic solvents deliver tunable, coherent emissions. They exhibit intense fluorescence owing to some specific spectroscopic characteristics. One drawback of the laser dyes is that it shows excessive triplet-state losses (TSLs.) The lack theoretical predictions rates, intersystem crossing (ISC), and phosphorescence prompted us report on predicted rates radiative nonradiative transitions dyes. Structural engineering by substituents influencing simulated coumarin dye derivatives for an efficient operation was investigated. NH$_{2}$ functional group renders 120 more fluorescents with reduced TLS than other investigated materials. Tailoring new can be achieved guided calculated emission processes.