Shcherbina, Nadezhda A. and Kazakov, Igor and Lisovenko, Anna S. and Kryukova, Mariya A. and Krasnova, Irina S. and Bodensteiner, Michael and Timoshkin, Alexey Y. (2022) Molecular complexes of non-chelating polydentate Lewis bases with group 13 Lewis acids: crystal structure and computed energy of stepwise donor-acceptor bond formation. MENDELEEV COMMUNICATIONS, 32 (1). pp. 74-77. ISSN 0959-9436, 1364-551X
Full text not available from this repository. (Request a copy)Abstract
The crystal structures of five donor-acceptor (DA) complexes of 1 : 1 and 2 : 1 composition between E(C6F5)3 (E = B, Al, Ga and In) and pyrazine (pyz) as a non-chelating bidentate nitrogen-containing donor, as well as the GaI3 center dot pyz center dot GaI3 complex have been established for the first time. A joint analysis of the experimental structural data and the results of computations at the M06-2X/def2-TZVP level of theory reveals that with an increase in the number of acceptor molecules in the DA complex, the DA bond distances increase, while the DA bond energies and Wiberg bond indexes decrease, indicating a weaker bonding. The previously reported 'inverse' relationship between the Lewis acidity and the capacity of a polydentate donor to complex with multiple Lewis acids is not confirmed.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GALLIUM; TRIHALIDES; POLYMERS; ALUMINUM; PYRAZINE; Keywords; donor-acceptor interaction; group 13 Lewis acids; pyrazine; hexamethylenetetramine; structural study; DFT computations |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institute of Pharmacy Chemistry and Pharmacy > Didactics of Chemistry |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 26 Jan 2024 11:34 |
| Last Modified: | 29 Jan 2024 13:36 |
| URI: | https://pred.uni-regensburg.de/id/eprint/57682 |
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