Germanium Complexes with ONO Tridentate Ligands: O-H Bond Activation Control According to DFT Calculations

Zaitsev, K.V.; Trubachev, A.D.; Poleshchuk, O.K.

Статья опубликована в высокорейтинговом журнале

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: 20 февраля 2024 г.

Авторы: Zaitsev Kirill V., Trubachev Andrey D., Poleshchuk Oleg Kh
Журнал: International Journal of Molecular Sciences
Том: 24
Номер: 12
Год издания: 2023
Издательство: MDPI
Местоположение издательства: Basel, Switzerland
Первая страница: 10218
Номер статьи: 10218
DOI: 10.3390/ijms241210218
Аннотация: Polydentate ligands are used for thermodynamic stabilization of tetrylenes—low-valent derivatives of Group 14 elements (E = Si, Ge, Sn, Pb). This work shows by DFT calculations how the structure (the presence or absence of substituents) and type (alcoholic, Alk, or phenolic, Ar) of tridentate ligands 2,6-pyridinobis(1,2-ethanols) [AlkONOR]H2 and 2,6-pyridinobis(1,2-phenols) [ArONOR]H2 (R = H, Me) may affect the reactivity or stabilization of tetrylene, indicating the unprecedented behavior of Main Group elements. This enables the unique control of the type of the occurring reaction. We found that unhindered [ONOH]H2 ligands predominantly led to hypercoordinated bis-liganded [ONOH]2Ge complexes, where an E(+2) intermediate was inserted into the ArO-H bond with subsequent H2 evolution. In contrast, substituted [ONOMe]H2 ligands gave [ONOMe]Ge: germylenes, which may be regarded as kinetic stabilized products; their transformation into E(+4) species is also thermodynamically favorable. The latter reaction is more probable for phenolic [ArONO]H2 ligands than for alcoholic [AlkONO]H2. The thermodynamics and possible intermediates of the reactions were also investigated.
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Germanium Complexes with ONO Tridentate Ligands: O-H Bond Activation Control According to DFT Calculationsстатья Исследовательская статья

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