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

Details
Hits: 264

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
This email address is being protected from spambots. You need JavaScript enabled to view it.  
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
This email address is being protected from spambots. You need JavaScript enabled to view it.  
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
This email address is being protected from spambots. You need JavaScript enabled to view it.  
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
This email address is being protected from spambots. You need JavaScript enabled to view it.  
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.

Creative Commons License
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

Attachments:
Download this file (Matematicheskaya fizika_2_2022-Tayupov-49-59.pdf) Matematicheskaya fizika_2_2022-Tayupov-49-59.pdf
URL: https://mp.jvolsu.com/index.php/en/component/attachments/download/1047		303 Downloads