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Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers. / Белоусова, Анна Михайловна; Тимошкин, Алексей Юрьевич.

In: Journal of Physical Chemistry A, Vol. 127, No. 35, 24.08.2023, p. 7353–7363.

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

Harvard

Белоусова, АМ & Тимошкин, АЮ 2023, 'Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers', Journal of Physical Chemistry A, vol. 127, no. 35, pp. 7353–7363. https://doi.org/10.1021/acs.jpca.3c04179

APA

Белоусова, А. М., & Тимошкин, А. Ю. (2023). Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers. Journal of Physical Chemistry A, 127(35), 7353–7363. https://doi.org/10.1021/acs.jpca.3c04179

Vancouver

Белоусова АМ, Тимошкин АЮ. Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers. Journal of Physical Chemistry A. 2023 Aug 24;127(35):7353–7363. https://doi.org/10.1021/acs.jpca.3c04179

Author

Белоусова, Анна Михайловна ; Тимошкин, Алексей Юрьевич. / Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers. In: Journal of Physical Chemistry A. 2023 ; Vol. 127, No. 35. pp. 7353–7363.

BibTeX

@article{0784b83a1c2b49568cc4b6c6c2e7c1c5,
title = "Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers",
abstract = "Structures and stability of mixed group 13−14−15 element hydridesPBEH6 (E = C, Si, Ge), their oligomers, and complexes with Lewis acids and Lewisbase are computationally studied at the B3LYP-D3/def2-TZVP level of theory.Unsubstituted chain hydrides are unstable and are expected to form cyclic oligomers.Cyclization can be prevented by the donor−acceptor complex formation. Forcomplexes of chain hydrides with Lewis acid in many cases additional reactivitybeyond the donor−acceptor complex formation is observed: cyclization andmigration of terminal group from the group 13 Lewis acid to the boron or group14 terminal atoms of the hydride. The most promising compounds for theexperimental studies have been identified. Joint stabilization by both W(CO)5 and trimethylamine provides a synergetic effect,allowing stabilization of 13−14−15 chain compounds.",
author = "Белоусова, {Анна Михайловна} and Тимошкин, {Алексей Юрьевич}",
year = "2023",
month = aug,
day = "24",
doi = "10.1021/acs.jpca.3c04179",
language = "English",
volume = "127",
pages = "7353–7363",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "35",

}

RIS

TY - JOUR

T1 - Structures and Stability of Mixed Main Group Hydrides [PBEH6]n (E = C, Si, Ge; n = 1–4) and Donor–Acceptor Stabilization of Monomeric Chain Isomers

AU - Белоусова, Анна Михайловна

AU - Тимошкин, Алексей Юрьевич

PY - 2023/8/24

Y1 - 2023/8/24

N2 - Structures and stability of mixed group 13−14−15 element hydridesPBEH6 (E = C, Si, Ge), their oligomers, and complexes with Lewis acids and Lewisbase are computationally studied at the B3LYP-D3/def2-TZVP level of theory.Unsubstituted chain hydrides are unstable and are expected to form cyclic oligomers.Cyclization can be prevented by the donor−acceptor complex formation. Forcomplexes of chain hydrides with Lewis acid in many cases additional reactivitybeyond the donor−acceptor complex formation is observed: cyclization andmigration of terminal group from the group 13 Lewis acid to the boron or group14 terminal atoms of the hydride. The most promising compounds for theexperimental studies have been identified. Joint stabilization by both W(CO)5 and trimethylamine provides a synergetic effect,allowing stabilization of 13−14−15 chain compounds.

AB - Structures and stability of mixed group 13−14−15 element hydridesPBEH6 (E = C, Si, Ge), their oligomers, and complexes with Lewis acids and Lewisbase are computationally studied at the B3LYP-D3/def2-TZVP level of theory.Unsubstituted chain hydrides are unstable and are expected to form cyclic oligomers.Cyclization can be prevented by the donor−acceptor complex formation. Forcomplexes of chain hydrides with Lewis acid in many cases additional reactivitybeyond the donor−acceptor complex formation is observed: cyclization andmigration of terminal group from the group 13 Lewis acid to the boron or group14 terminal atoms of the hydride. The most promising compounds for theexperimental studies have been identified. Joint stabilization by both W(CO)5 and trimethylamine provides a synergetic effect,allowing stabilization of 13−14−15 chain compounds.

UR - https://pubs.acs.org/doi/10.1021/acs.jpca.3c04179

UR - https://www.mendeley.com/catalogue/81aa9925-c00d-3ad9-a8bd-3d64c443d889/

U2 - 10.1021/acs.jpca.3c04179

DO - 10.1021/acs.jpca.3c04179

M3 - Article

VL - 127

SP - 7353

EP - 7363

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 35

ER -

ID: 108820962