Study of vacant electronic states of chemiluminescence activators on the example of 2-cumaranone molecules

Автор: Safronov Aleksey M., Tayupov Mansaf M., Markova Angelina V., Rakhmeev Rustam G.

Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu

Рубрика: Физика и астрономия

Статья в выпуске: 4 т.24, 2021 года.

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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]-).

Negative ion mass spectrometry, resonance electron attachment, quantum chemical calculations, chemiluminescence, biophysics

Короткий адрес: https://sciup.org/149139557

IDR: 149139557   |   DOI: 10.15688/mpcm.jvolsu.2021.4.5

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