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Molecular complexes of non-chelating polydentate Lewis bases with group 13 Lewis acids: crystal structure and computed energy of stepwise donor–acceptor bond formation

Nadezhda Andreevna Shcherbina 1
Nadezhda Andreevna Shcherbina
, 
Igor Vladimirovich Kazakov 1
Igor Vladimirovich Kazakov
, 
Anna Sergeevna Lisovenko 1
Anna Sergeevna Lisovenko
, 
Mariya Aleksandrovna Kryukova 1
Mariya Aleksandrovna Kryukova
, 
Irina Sergeevna Krasnova 1
Irina Sergeevna Krasnova
, 
Michael Bodensteiner 2
Michael Bodensteiner
, 
Alexey Yurievich Timoshkin 1
Alexey Yurievich Timoshkin
10.1016/j.mencom.2022.01.024
Published 2022-01-03
Communication , Volume 32, Issue 1, 74-77
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Shcherbina N. A. et al. 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. 2022. Vol. 32. No. 1. pp. 74-77.
GOST all authors (up to 50) Copy
Shcherbina N. A., Kazakov I. V., Lisovenko A. S., Kryukova M. A., Krasnova I. S., Bodensteiner M., Timoshkin A. Y. 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. 2022. Vol. 32. No. 1. pp. 74-77.
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TY - JOUR
DO - 10.1016/j.mencom.2022.01.024
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.01.024
TI - Molecular complexes of non-chelating polydentate Lewis bases with group 13 Lewis acids: crystal structure and computed energy of stepwise donor–acceptor bond formation
T2 - Mendeleev Communications
AU - Shcherbina, Nadezhda Andreevna
AU - Kazakov, Igor Vladimirovich
AU - Lisovenko, Anna Sergeevna
AU - Kryukova, Mariya Aleksandrovna
AU - Krasnova, Irina Sergeevna
AU - Bodensteiner, Michael
AU - Timoshkin, Alexey Yurievich
PY - 2022
DA - 2022/01/03
PB - Mendeleev Communications
SP - 74-77
IS - 1
VL - 32
ER -
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@article{2022_Shcherbina,
author = {Nadezhda Andreevna Shcherbina and Igor Vladimirovich Kazakov and Anna Sergeevna Lisovenko and Mariya Aleksandrovna Kryukova and Irina Sergeevna Krasnova and Michael Bodensteiner and Alexey Yurievich Timoshkin},
title = {Molecular complexes of non-chelating polydentate Lewis bases with group 13 Lewis acids: crystal structure and computed energy of stepwise donor–acceptor bond formation},
journal = {Mendeleev Communications},
year = {2022},
volume = {32},
publisher = {Mendeleev Communications},
month = {Jan},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.01.024},
number = {1},
pages = {74--77},
doi = {10.1016/j.mencom.2022.01.024}
}
MLA
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Shcherbina, Nadezhda Andreevna, et al. “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, vol. 32, no. 1, Jan. 2022, pp. 74-77. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.01.024.

Keywords

DFT computations
donor–acceptor interaction
group 13 Lewis acids
hexamethylenetetramine
pyrazine
structural study

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 pyz 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.

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