Tayupov M.M., Markova A.V., Safronov A.M., Galeev R.V. Determination of Impurity Modes in the Spectra of Dissociative Electron Attachment by Benzofuran-3(2H)-one and Benzofuran-2(3H)-one Molecules

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https://doi.org/10.15688/mpcm.jvolsu.2022.2.5

Mansaf M. Tayupov
Junior Researcher, Physics of Atomic Collisions Laboratory,
Institute of Molecule and Crystal Physics, Ufa Federal Research Center RAS
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https://orcid.org/0000-0002-2876-3910 
Prosp. Octyabrya, 151, 450075 Ufa, Russian Federation

Angelina V. Markova
Research Laboratory Assistant, Physics of Atomic Collisions Laboratory,
Institute of Molecule and Crystal Physics, Ufa Federal Research Center RAS
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https://orcid.org/0000-0002-7846-6500 
Prosp. Octyabrya, 151, 450075 Ufa, Russian Federation

Aleksey M. Safronov
Junior Researcher, Physics of Atomic Collisions Laboratory,
Institute of Molecule and Crystal Physics, Ufa Federal Research Center RAS
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https://orcid.org/0000-0002-2922-170X 
Prosp. Octyabrya, 151, 450075 Ufa, Russian Federation

Rustem V. Galeev
Candidate of Physical and Mathematical Sciences,
Researcher, Physics of Atomic Collisions Laboratory,
Institute of Molecule and Crystal Physics, Ufa Federal Research Center RAS
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https://orcid.org/0000-0002-6655-5792 
Prosp. Octyabrya, 151, 450075 Ufa, Russian Federation

Abstract. The method of negative ion mass spectrometry of resonant attachment of low energy electrons (0-15 eV) was used to identify and determine the type of impurities in the studied samples of benzofuran-3(2H)-one and benzofuran-2(3H)-one. An analysis of the decay channels of molecular negative ions (NIs) into stable fragments using the results of quantum-chemical calculations in the approximation of the density functional theory made it possible to determine the most probable structures of impurity molecules, as well as fragment ions ([M - H]-, [M - 2H]-, [M - СО]-).

Key words: negative ion mass spectrometry, resonant electron capture, quantum chemical calculations, isomers, impurity modes.

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Determination of Impurity Modes in the Spectra of Dissociative Electron Attachment by Benzofuran-3(2H)-one and Benzofuran-2(3H)-one Molecules by Tayupov M.M., Markova A.V., Safronov A.M., Galeev R.V. is licensed under a Creative Commons Attribution 4.0 International License.

Citation in English: Mathematical Physics and Computer Simulation. Vol. 25 No. 2 2022, pp. 49-59

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