The coherent control of relaxation processes in excited states of 4-dimethylaminochalkone fluorescent probe. Results of quantum chemical simulation

The relaxation of excited ${}^1(\pi,\pi^*)$ state of N,N-dimethylaminochalcone-water complex is studied using non-adiabatic molecular dynamics methods. It is shown that the excitation with several vibrational modes of the ${}^1(\pi,\pi^*)$ state of the complex significantly accelerates its relaxation into the ground electronic state. It is also shown that the initial phases of vibrations with the modes of the ${}^1(\pi,\pi^*)$ excited state influence the rate of relaxation. These results can help to explain the experimental data on the possibility of coherent control of excited state relaxation for a solvated N,N-dimethylaminochalcone molecule.