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Experimental and Theoretical Studies of Technetium Complexes with N-heterocycles: Tc N vs Tc=Oстатья
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 15 апреля 2026 г.
- Авторы: Volkov Mikhail A., Novikov Anton P., Grigoriev Mikhail S., Nevolin Iurii M., Krot Anna D., Zagidullin Karim A., Abkhalimov Evgeny V.
- Журнал: Journal of Molecular Structure
- Том: 1363
- Год издания: 2026
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Номер статьи: 145757
- DOI: 10.1016/j.molstruc.2026.145757
- Аннотация: In this study, we present the structures and properties of four novel nitrido-technetiumcomplexes: [TcVNCl(Prd)4]TcO4 (I), [TcVNCl2(Pyr)2(OHMe)] (II), [TcVINCl2(Pyr)2OMe] (III),and [μ-NTcV2NCl4H2O(Bta)4] (IV) (Prd – pyridazine; Pyr – pyrazine; Bta – benzothiazole). Thecompounds were studied with ATR-IR and UV-Vis spectroscopies, TG-DTA, LIMS, pXRD,SCXRD, and DFT calculations. A comparison of structures and properties with previouslydescribed similar oxo-technetium complexes TcOCl2(Pyr)2OMe and TcOCl2(Pyrm)2OMe (Pyrm- pyrimidine) is carried out. The formation of complexes II and III is influenced by the pH of thesolution, the concentration of the N-donor ligand, and its structure. According to the findings ofHirshfeld and ESP surface analysis, complexes with a TcN core exhibit a greater degree ofpolarization in comparison to analogous compounds that feature a TcO core. The TcN complexesdemonstrate higher reactivity under laser ionization and elevated temperatures in comparison toTcO complexes. Compound III undergoes decomposition at an elevated temperature of 115°C,while the analogous complex with a TcO core has a higher decomposition temperature of 150°C.Spectrophotometric studies of non-aqueous neutral solutions in the synthesis of TcN complexesof various structures have been carried out for the first time.
- Добавил в систему: Абхалимов Евгений Владиленович