Standard

Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides. / Помогаева, Анна Владимировна; Белоусова, Анна Михайловна; Казаков, Игорь Владимирович; Тимошкин, Алексей Юрьевич.

в: Inorganica Chimica Acta, Том 559, № 1, 121785, 01.01.2024.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Помогаева, АВ, Белоусова, АМ, Казаков, ИВ & Тимошкин, АЮ 2024, 'Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides', Inorganica Chimica Acta, Том. 559, № 1, 121785. https://doi.org/10.1016/j.ica.2023.121785

APA

Помогаева, А. В., Белоусова, А. М., Казаков, И. В., & Тимошкин, А. Ю. (2024). Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides. Inorganica Chimica Acta, 559(1), [121785]. https://doi.org/10.1016/j.ica.2023.121785

Vancouver

Помогаева АВ, Белоусова АМ, Казаков ИВ, Тимошкин АЮ. Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides. Inorganica Chimica Acta. 2024 Янв. 1;559(1). 121785. https://doi.org/10.1016/j.ica.2023.121785

Author

Помогаева, Анна Владимировна ; Белоусова, Анна Михайловна ; Казаков, Игорь Владимирович ; Тимошкин, Алексей Юрьевич. / Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides. в: Inorganica Chimica Acta. 2024 ; Том 559, № 1.

BibTeX

@article{5bbb6b9fdacc49f8b17c189a0a31c7a0,
title = "Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides",
abstract = "Structures and stability of LB⋅E13H2E14H2E15H2⋅LA compounds, stabilized by Lewis base (LB) and/or Lewis acid (LA), were computationally explored. Obtained results reveal that the isomers with the middle position of group 14 element are the most stable for all studied combinations of group 13-14-15 elements (B, Al, Ga; Si, Ge, Sn; P, As, Sb). Coordination of LA lowers the energy difference between isomers but increases the activation energy for the isomerization. Stronger LB, such as NHC, also increase the activation energy for the isomerization. Possible synthetic approaches to the main group hydride isomers with the middle position of group 14 element were proposed and computationally examined. ",
keywords = "DFT computations, Donor-acceptor stabilization, Group 13-14-15 hydrides, Isomers",
author = "Помогаева, {Анна Владимировна} and Белоусова, {Анна Михайловна} and Казаков, {Игорь Владимирович} and Тимошкин, {Алексей Юрьевич}",
year = "2024",
month = jan,
day = "1",
doi = "10.1016/j.ica.2023.121785",
language = "English",
volume = "559",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",
number = "1",

}

RIS

TY - JOUR

T1 - Donor-acceptor stabilized isomers of composite group 13-14-15 hydrides

AU - Помогаева, Анна Владимировна

AU - Белоусова, Анна Михайловна

AU - Казаков, Игорь Владимирович

AU - Тимошкин, Алексей Юрьевич

PY - 2024/1/1

Y1 - 2024/1/1

N2 - Structures and stability of LB⋅E13H2E14H2E15H2⋅LA compounds, stabilized by Lewis base (LB) and/or Lewis acid (LA), were computationally explored. Obtained results reveal that the isomers with the middle position of group 14 element are the most stable for all studied combinations of group 13-14-15 elements (B, Al, Ga; Si, Ge, Sn; P, As, Sb). Coordination of LA lowers the energy difference between isomers but increases the activation energy for the isomerization. Stronger LB, such as NHC, also increase the activation energy for the isomerization. Possible synthetic approaches to the main group hydride isomers with the middle position of group 14 element were proposed and computationally examined.

AB - Structures and stability of LB⋅E13H2E14H2E15H2⋅LA compounds, stabilized by Lewis base (LB) and/or Lewis acid (LA), were computationally explored. Obtained results reveal that the isomers with the middle position of group 14 element are the most stable for all studied combinations of group 13-14-15 elements (B, Al, Ga; Si, Ge, Sn; P, As, Sb). Coordination of LA lowers the energy difference between isomers but increases the activation energy for the isomerization. Stronger LB, such as NHC, also increase the activation energy for the isomerization. Possible synthetic approaches to the main group hydride isomers with the middle position of group 14 element were proposed and computationally examined.

KW - DFT computations

KW - Donor-acceptor stabilization

KW - Group 13-14-15 hydrides

KW - Isomers

UR - https://www.sciencedirect.com/science/article/pii/S0020169323004103?via%3Dihub

UR - https://www.mendeley.com/catalogue/7533cec4-3005-3849-b44a-9f3d5828175a/

U2 - 10.1016/j.ica.2023.121785

DO - 10.1016/j.ica.2023.121785

M3 - Article

VL - 559

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

IS - 1

M1 - 121785

ER -

ID: 111372854