ФРАГМЕНТАЦИЯ МОЛЕКУЛ АДЕНИНА ПРИ ВЗАИМОДЕЙСТВИИ С ИОНАМИ

A. A. Basalaev; Басалаев А. А.; V. V. Kuz’michev; Кузьмичев В. В.; M. N. Panov; Панов М. Н.; K. V. Simon; Симон К. В.; O. V. Smirnov; Смирнов О. В.

doi:10.31857/S0207401X23100035

ФРАГМЕНТАЦИЯ МОЛЕКУЛ АДЕНИНА ПРИ ВЗАИМОДЕЙСТВИИ С ИОНАМИ

Authors: Basalaev A.A.¹, Kuz’michev V.V.¹, Panov M.N.¹, Simon K.V.¹, Smirnov O.V.¹
Affiliations:
1. Ioffe Physical Technical Institute, Russian Academy of Sciences, St. Petersburg, Russia
Issue: Vol 42, No 10 (2023)
Pages: 16-25
Section: Элементарные физико-химические процессы
URL: https://rjmseer.com/0207-401X/article/view/674815
DOI: https://doi.org/10.31857/S0207401X23100035
EDN: https://elibrary.ru/RMPETI
ID: 674815

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Abstract
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Abstract

The mechanism of the fragmentation processes of adenine ions (Ade, C5H5N5) occurring during the interaction of molecules in the gas phase with ions energies of the order of keV is studied. The relative cross sections of various elementary processes occurring in single collisions of ions with molecules are measured. The channels of the fragmentation processes of singly charged Ade+ ions are experimentally studied. The complete active space self-consistent field (CASSCF) method is used to calculate the geometry of the molecules and singly charged Ade+ ions, as well as the reaction paths of the main experimentally observed fragmentation channels of these ions.

Keywords

electron capture, adenine, fragmentation of molecular ions, mass spectrometry, CASSCF method

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