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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. / Shcherbina, Nadezhda A.; Kazakov, Igor V.; Lisovenko, Anna S.; Kryukova, Mariya A.; Krasnova, Irina S.; Bodensteiner, Michael; Timoshkin, Alexey Y.

In: Mendeleev Communications , Vol. 32, No. 1, 03.03.2022, p. 74-77.

Research output: Contribution to journal › Article › peer-review

Harvard

Shcherbina, NA, Kazakov, IV, Lisovenko, AS, Kryukova, MA, Krasnova, IS, Bodensteiner, M & Timoshkin, AY 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 , vol. 32, no. 1, pp. 74-77. https://doi.org/10.1016/j.mencom.2022.01.024

APA

Shcherbina, N. A., Kazakov, I. V., Lisovenko, A. S., Kryukova, M. A., Krasnova, I. S., Bodensteiner, M., & Timoshkin, A. 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), 74-77. https://doi.org/10.1016/j.mencom.2022.01.024

Vancouver

Shcherbina NA, Kazakov IV, Lisovenko AS, Kryukova MA, Krasnova IS, Bodensteiner M 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 Mar 3;32(1):74-77. https://doi.org/10.1016/j.mencom.2022.01.024

Author

Shcherbina, Nadezhda A. ; Kazakov, Igor V. ; Lisovenko, Anna S. ; Kryukova, Mariya A. ; Krasnova, Irina S. ; Bodensteiner, Michael ; Timoshkin, Alexey 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. In: Mendeleev Communications . 2022 ; Vol. 32, No. 1. pp. 74-77.

BibTeX

@article{b1e519e4650d4b96983748cc4e92a55b,
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",
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 {\textquoteleft}inverse{\textquoteright} relationship between the Lewis acidity and the capacity of a polydentate donor to complex with multiple Lewis acids is not confirmed.",
keywords = "DFT computations, donor–acceptor interaction, group 13 Lewis acids, hexamethylenetetramine, pyrazine, structural study, POLYMERS, Keywords, TRIHALIDES, PYRAZINE, ALUMINUM, donor-acceptor interaction, GALLIUM",
author = "Shcherbina, {Nadezhda A.} and Kazakov, {Igor V.} and Lisovenko, {Anna S.} and Kryukova, {Mariya A.} and Krasnova, {Irina S.} and Michael Bodensteiner and Timoshkin, {Alexey Y.}",
note = "Publisher Copyright: {\textcopyright} 2022",
year = "2022",
month = mar,
day = "3",
doi = "10.1016/j.mencom.2022.01.024",
language = "English",
volume = "32",
pages = "74--77",
journal = "Mendeleev Communications",
issn = "0959-9436",
publisher = "Elsevier",
number = "1",

}

RIS

TY - JOUR

T1 - Molecular complexes of non-chelating polydentate Lewis bases with group 13 Lewis acids

T2 - crystal structure and computed energy of stepwise donor–acceptor bond formation

AU - Shcherbina, Nadezhda A.

AU - Kazakov, Igor V.

AU - Lisovenko, Anna S.

AU - Kryukova, Mariya A.

AU - Krasnova, Irina S.

AU - Bodensteiner, Michael

AU - Timoshkin, Alexey Y.

N1 - Publisher Copyright: © 2022

PY - 2022/3/3

Y1 - 2022/3/3

N2 - 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.

AB - 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.

KW - DFT computations

KW - donor–acceptor interaction

KW - group 13 Lewis acids

KW - hexamethylenetetramine

KW - pyrazine

KW - structural study

KW - POLYMERS

KW - Keywords

KW - TRIHALIDES

KW - PYRAZINE

KW - ALUMINUM

KW - donor-acceptor interaction

KW - GALLIUM

UR - http://www.scopus.com/inward/record.url?scp=85125599340&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/846fae8f-88c1-3503-b4e1-72e241445175/

U2 - 10.1016/j.mencom.2022.01.024

DO - 10.1016/j.mencom.2022.01.024

M3 - Article

AN - SCOPUS:85125599340

VL - 32

SP - 74

EP - 77

JO - Mendeleev Communications

JF - Mendeleev Communications

SN - 0959-9436

IS - 1

ER -

ID: 93940927