Electron-Driven Processes in Enantiomeric Forms of Glutamic Acid Initiated by Low-Energy Resonance Electron attachment | Sciact - CRIS-система Института катализа

Electron-Driven Processes in Enantiomeric Forms of Glutamic Acid Initiated by Low-Energy Resonance Electron attachment Научная публикация

Журнал

Journal of Chemical Physics
ISSN: 0021-9606 , E-ISSN: 1089-7690

Вых. Данные

Год: 2024, Том: 161, Номер: 11, Номер статьи : 114303, Страниц : 10 DOI: 10.1063/5.0232036

Ключевые слова

Density functional theory, Electron attachment mass spectrometry, Dissociative attachment, Chirality, Gas phase, Electron scattering, Amino acid

Авторы

Pshenichnyuk S.A. ¹ , Asfandiarov N.L. ¹ , Rakhmeyev R.G. ¹ , Komolov Alexei S. ² , Tereshchenko Oleg E. ^3,4

Организации

1	Institute of Molecule and Crystal Physics, Ufa Federal Research Centre, Russian Academy of Sciences 1 , Prospekt Oktyabrya 151, 450075 Ufa, Russia
2	St.Petersburg State University 2 , Universitetskaya nab. 7/9, 199034 St. Petersburg, Russia
3	Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences 3 , Lavrentyev Prospekt 13, 630090 Novosibirsk, Russia
4	Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences 4 , Prospekt Nikolsky 1, 630559 Koltsovo, Russia

Информация о финансировании (1)

Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)

FWUR-2024-0042

Low-energy (0–14 eV) resonance electron interaction and fragment species produced by dissociative electron attachment (DEA) for enantiomeric forms of glutamic acid (Glu) are studied under gas-phase conditions by means of DEA spectroscopy and density functional theory calculations. Contrary to a series of amino acids studied earlier employing the DEA technique, the most abundant species are not associated with the elimination of a hydrogen atom from the parent molecular negative ion. Besides this less intense closed-shell [Glu – H]– fragment, only two mass-selected negative ions, [Glu – 19]– and [Glu – 76]–, are detected within the same electron energy region, with the yield maximum observed at around 0.9 eV. This value matches well the energy of vertical electron attachment into the lowest normally empty π∗ COOH molecular orbital of Glu located at 0.88 eV according to the present B3LYP/6-31G(d) calculations. Although the detection of asymmetric DEA properties a priori is not accessible under the present experimental conditions, “chirality non-conservation” can be associated with some decay channels. Evidently, the measured spectra for the L- and D-forms are found to be identical, the results, nevertheless, being of interest for the forthcoming experiments utilizing spin-polarized electron beam as a chiral factor in the framework of conventional DEA technique.

Pshenichnyuk S.A. , Asfandiarov N.L. , Rakhmeyev R.G. , Komolov A.S. , Tereshchenko O.E.
Electron-Driven Processes in Enantiomeric Forms of Glutamic Acid Initiated by Low-Energy Resonance Electron attachment
Journal of Chemical Physics. 2024. V.161. N11. 114303 :1-10. DOI: 10.1063/5.0232036 WOS Scopus OpenAlex

Поступила в редакцию:	4 авг. 2024 г.
Принята к публикации:	29 авг. 2024 г.
Опубликована в печати:	14 сент. 2024 г.
Опубликована online:	16 сент. 2024 г.

Web of science:	WOS:001313864300012
Scopus:	2-s2.0-85204418375
OpenAlex:	W4402580942

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