The coherent control of relaxation processes in excited states of 4-dimethylaminochalkone fluorescent probe. Results of quantum chemical simulation
Numerical methods and programming, Tome 14 (2013) no. 4, pp. 432-437
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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.
Keywords:
quantum chemical simulation; nonadiabatic molecular dynamics; TDDFT; fluorescent probe; coherent control; nonradiative relaxation.
@article{VMP_2013_14_4_a1,
author = {R. A. Sakovich and A. N. Rjvfyjd and S. K. Gularyan and B. M. Polyak and P. A. Schmakov and F. E. Gostev and I. V. Shelaev},
title = {The coherent control of relaxation processes in excited states of 4-dimethylaminochalkone fluorescent probe. {Results} of quantum chemical simulation},
journal = {Numerical methods and programming},
pages = {432--437},
year = {2013},
volume = {14},
number = {4},
language = {ru},
url = {http://geodesic.mathdoc.fr/item/VMP_2013_14_4_a1/}
}
TY - JOUR AU - R. A. Sakovich AU - A. N. Rjvfyjd AU - S. K. Gularyan AU - B. M. Polyak AU - P. A. Schmakov AU - F. E. Gostev AU - I. V. Shelaev TI - The coherent control of relaxation processes in excited states of 4-dimethylaminochalkone fluorescent probe. Results of quantum chemical simulation JO - Numerical methods and programming PY - 2013 SP - 432 EP - 437 VL - 14 IS - 4 UR - http://geodesic.mathdoc.fr/item/VMP_2013_14_4_a1/ LA - ru ID - VMP_2013_14_4_a1 ER -
%0 Journal Article %A R. A. Sakovich %A A. N. Rjvfyjd %A S. K. Gularyan %A B. M. Polyak %A P. A. Schmakov %A F. E. Gostev %A I. V. Shelaev %T The coherent control of relaxation processes in excited states of 4-dimethylaminochalkone fluorescent probe. Results of quantum chemical simulation %J Numerical methods and programming %D 2013 %P 432-437 %V 14 %N 4 %U http://geodesic.mathdoc.fr/item/VMP_2013_14_4_a1/ %G ru %F VMP_2013_14_4_a1
R. A. Sakovich; A. N. Rjvfyjd; S. K. Gularyan; B. M. Polyak; P. A. Schmakov; F. E. Gostev; I. V. Shelaev. The coherent control of relaxation processes in excited states of 4-dimethylaminochalkone fluorescent probe. Results of quantum chemical simulation. Numerical methods and programming, Tome 14 (2013) no. 4, pp. 432-437. http://geodesic.mathdoc.fr/item/VMP_2013_14_4_a1/