Germanium complexes with ONO tridentate ligands: O-H bond activation control according to DFT calculations
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 ligand...
| Published in: | International journal of molecular sciences Vol. 24, № 12. P. 10218 (1-11) |
|---|---|
| Main Author: | |
| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001017458 |
| LEADER | 02402nab a2200337 c 4500 | ||
|---|---|---|---|
| 001 | koha001017458 | ||
| 005 | 20240124135432.0 | ||
| 007 | cr | | ||
| 008 | 240118|2023 sz s a eng d | ||
| 024 | 7 | |a 10.3390/ijms241210218 |2 doi | |
| 035 | |a koha001017458 | ||
| 040 | |a RU-ToGU |b rus |c RU-ToGU | ||
| 100 | 1 | |a Zaitsev, Kirill V. | |
| 245 | 1 | 0 | |a Germanium complexes with ONO tridentate ligands: O-H bond activation control according to DFT calculations |c K. V. Zaitsev, A. D. Trubachev, O. Kh. Poleshchuk |
| 336 | |a Текст | ||
| 337 | |a электронный | ||
| 504 | |a Библиогр.: 88 назв. | ||
| 520 | 3 | |a 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. | |
| 653 | |a подгруппа углерода | ||
| 653 | |a лиганды | ||
| 653 | |a тридентатные лиганды | ||
| 653 | |a германий | ||
| 653 | |a DFT-расчеты | ||
| 655 | 4 | |a статьи в журналах | |
| 700 | 1 | |a Trubachev, Andrey D. | |
| 700 | 1 | |a Poleshchuk, Oleg Kh. | |
| 773 | 0 | |t International journal of molecular sciences |d 2023 |g Vol. 24, № 12. P. 10218 (1-11) |x 1661-6596 | |
| 852 | 4 | |a RU-ToGU | |
| 856 | 4 | |u http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001017458 | |
| 908 | |a статья | ||
| 999 | |c 1017458 |d 1017458 | ||