Heterocyclic molecules fragmentation due to single electron capture by doubly charged ions

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Resumo

The of adenine (Ade, C5H5N5) and cyclodiglycine (DKP, C4H6N2O2) ions fragmentation formed in the singly electron capture during the interaction of molecules in the gas phase with C2+ and O2+ ions with an energy of 12 keV have been studied. The experimentally observed dependence of the relative fragmentation cross section of molecular ions on the type of projectile is qualitatively explained within the framework of the quasi-molecular model. Using the multi-configuration method of self-consistent field in complete active space (CASSCF), calculations of the fragmentation reaction paths of Ade+ and DKP+ ions were performed. The calculated appearance energies are in good agreement with the available experimental data.

Sobre autores

A. Basalaev

Ioffe Physical-Technical Institute of the Russian Academy of Sciences

Autor responsável pela correspondência
Email: a.basalaev@mail.ioffe.ru
Rússia, Saint Petersburg

V. Kuz’michev

Ioffe Physical-Technical Institute of the Russian Academy of Sciences

Email: a.basalaev@mail.ioffe.ru
Rússia, Saint Petersburg

M. Panov

Ioffe Physical-Technical Institute of the Russian Academy of Sciences

Email: a.basalaev@mail.ioffe.ru
Rússia, Saint Petersburg

K. Simon

Ioffe Physical-Technical Institute of the Russian Academy of Sciences

Email: a.basalaev@mail.ioffe.ru
Rússia, Saint Petersburg

O. Smirnov

Ioffe Physical-Technical Institute of the Russian Academy of Sciences

Email: a.basalaev@mail.ioffe.ru
Rússia, Saint Petersburg

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