Standard

Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile. / Shcherbina, Nadezhda A.; Pomogaeva, Anna V.; Lisovenko, Anna S.; Kazakov, Igor V.; Gugin, Nikita Yu; Khoroshilova, Olesya V.; Kondrat'ev, Yuri V.; Timoshkin, Alexey Y.

в: Zeitschrift fur Anorganische und Allgemeine Chemie, Том 646, № 13, 15.07.2020, стр. 873-881.

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

Harvard

Shcherbina, NA, Pomogaeva, AV, Lisovenko, AS, Kazakov, IV, Gugin, NY, Khoroshilova, OV, Kondrat'ev, YV & Timoshkin, AY 2020, 'Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile', Zeitschrift fur Anorganische und Allgemeine Chemie, Том. 646, № 13, стр. 873-881. https://doi.org/10.1002/zaac.202000030

APA

Shcherbina, N. A., Pomogaeva, A. V., Lisovenko, A. S., Kazakov, I. V., Gugin, N. Y., Khoroshilova, O. V., Kondrat'ev, Y. V., & Timoshkin, A. Y. (2020). Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile. Zeitschrift fur Anorganische und Allgemeine Chemie, 646(13), 873-881. https://doi.org/10.1002/zaac.202000030

Vancouver

Shcherbina NA, Pomogaeva AV, Lisovenko AS, Kazakov IV, Gugin NY, Khoroshilova OV и пр. Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile. Zeitschrift fur Anorganische und Allgemeine Chemie. 2020 Июль 15;646(13):873-881. https://doi.org/10.1002/zaac.202000030

Author

Shcherbina, Nadezhda A. ; Pomogaeva, Anna V. ; Lisovenko, Anna S. ; Kazakov, Igor V. ; Gugin, Nikita Yu ; Khoroshilova, Olesya V. ; Kondrat'ev, Yuri V. ; Timoshkin, Alexey Y. / Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile. в: Zeitschrift fur Anorganische und Allgemeine Chemie. 2020 ; Том 646, № 13. стр. 873-881.

BibTeX

@article{c14b2a85832f4050bc08d5c0f851b040,
title = "Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile",
abstract = "Complexes formed by interaction of E(C6F5)3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6F5)3 and In(C6F5)3 the formation of a complex of 1:2 composition is more advantageous than for B(C6F5)3 and Ga(C6F5)3, in line with experimental observations. Formation of the solvate [Al(C6F5)3·2AN]·AN is in agreement with predicted thermodynamic instability of [Al(C6F5)3·3AN]. Tensimetry study of B(C6F5)3·CH3CN reveals its stability in the solid state up to 197 °C. With the temperature increase, the complex undergoes irreversible thermal decomposition with pentafluorobenzene formation.",
keywords = "Acetonitrile, DFT computations, Group 13 tris(pentafluorophenyl) Lewis acids, Structure, Thermal stability, LEWIS-ACID, THERMOCHEMISTRY, HYDROSILYLATION, POLYMERIZATION, ELEMENTS, THERMODYNAMICS, REDUCTION, CHEMISTRY, DERIVATIVES, PAIRS",
author = "Shcherbina, {Nadezhda A.} and Pomogaeva, {Anna V.} and Lisovenko, {Anna S.} and Kazakov, {Igor V.} and Gugin, {Nikita Yu} and Khoroshilova, {Olesya V.} and Kondrat'ev, {Yuri V.} and Timoshkin, {Alexey Y.}",
note = "Publisher Copyright: {\textcopyright} 2020 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim",
year = "2020",
month = jul,
day = "15",
doi = "10.1002/zaac.202000030",
language = "English",
volume = "646",
pages = "873--881",
journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",
issn = "0044-2313",
publisher = "Wiley-Blackwell",
number = "13",

}

RIS

TY - JOUR

T1 - Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile

AU - Shcherbina, Nadezhda A.

AU - Pomogaeva, Anna V.

AU - Lisovenko, Anna S.

AU - Kazakov, Igor V.

AU - Gugin, Nikita Yu

AU - Khoroshilova, Olesya V.

AU - Kondrat'ev, Yuri V.

AU - Timoshkin, Alexey Y.

N1 - Publisher Copyright: © 2020 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

PY - 2020/7/15

Y1 - 2020/7/15

N2 - Complexes formed by interaction of E(C6F5)3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6F5)3 and In(C6F5)3 the formation of a complex of 1:2 composition is more advantageous than for B(C6F5)3 and Ga(C6F5)3, in line with experimental observations. Formation of the solvate [Al(C6F5)3·2AN]·AN is in agreement with predicted thermodynamic instability of [Al(C6F5)3·3AN]. Tensimetry study of B(C6F5)3·CH3CN reveals its stability in the solid state up to 197 °C. With the temperature increase, the complex undergoes irreversible thermal decomposition with pentafluorobenzene formation.

AB - Complexes formed by interaction of E(C6F5)3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6F5)3 and In(C6F5)3 the formation of a complex of 1:2 composition is more advantageous than for B(C6F5)3 and Ga(C6F5)3, in line with experimental observations. Formation of the solvate [Al(C6F5)3·2AN]·AN is in agreement with predicted thermodynamic instability of [Al(C6F5)3·3AN]. Tensimetry study of B(C6F5)3·CH3CN reveals its stability in the solid state up to 197 °C. With the temperature increase, the complex undergoes irreversible thermal decomposition with pentafluorobenzene formation.

KW - Acetonitrile

KW - DFT computations

KW - Group 13 tris(pentafluorophenyl) Lewis acids

KW - Structure

KW - Thermal stability

KW - LEWIS-ACID

KW - THERMOCHEMISTRY

KW - HYDROSILYLATION

KW - POLYMERIZATION

KW - ELEMENTS

KW - THERMODYNAMICS

KW - REDUCTION

KW - CHEMISTRY

KW - DERIVATIVES

KW - PAIRS

UR - http://www.scopus.com/inward/record.url?scp=85084064345&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/8446db5c-0219-393a-a426-eda7b77359a5/

U2 - 10.1002/zaac.202000030

DO - 10.1002/zaac.202000030

M3 - Article

AN - SCOPUS:85084064345

VL - 646

SP - 873

EP - 881

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

SN - 0044-2313

IS - 13

ER -

ID: 53505151