Geodesic
Study of vacant electronic states of chemiluminescence activators on the example of 2-cumaranone molecules
Matematičeskaâ fizika i kompʹûternoe modelirovanie, Tome 24 (2021) no. 4, pp. 67-78.

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2-coumaranone molecules were studied by the method of mass spectrometry of negative ions of resonant capture of low (0-15 eV) electrons. This substance is widely used as a platform on which chemiluminescent probes are built. The analysis of the decay channels of molecular negative ions (OI) into stable fragments using the results of quantum chemical calculations in the approximation of the density functional theory allowed us to determine the most probable structures of fragmentation ions ([M – H]–, [M – 2H]–, [M – CO]–).
Keywords: negative ion mass spectrometry, resonance electron attachment, quantum chemical calculations, biophysics.
Mots-clés : chemiluminescence 
@article{VVGUM_2021_24_4_a4,
     author = {A. M. Safronov and M. M. Tayupov and A. V. Markova and R. G. Rakhmeev},
     title = {Study of vacant electronic states of chemiluminescence activators on the example of 2-cumaranone molecules},
     journal = {Matemati\v{c}eska\^a fizika i kompʹ\^uternoe modelirovanie},
     pages = {67--78},
     publisher = {mathdoc},
     volume = {24},
     number = {4},
     year = {2021},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VVGUM_2021_24_4_a4/}
}
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A. M. Safronov; M. M. Tayupov; A. V. Markova; R. G. Rakhmeev. Study of vacant electronic states of chemiluminescence activators on the example of 2-cumaranone molecules. Matematičeskaâ fizika i kompʹûternoe modelirovanie, Tome 24 (2021) no. 4, pp. 67-78. http://geodesic.mathdoc.fr/item/VVGUM_2021_24_4_a4/