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Structures and thermal decomposition of complexes of E(C6F5)3 (E = Al, Ga, In) with pyridine. / Shcherbina, Nadezhda A.; Kazakov, Igor V.; Pomogaeva, Anna V.; Lisovenko, Anna S.; Kryukova, Mariya A.; Doinikov, Dmitry A.; Gugin, Nikita Yu; Kondrat'ev, Yuri V.; Timoshkin, Alexey Y.

In: Journal of Organometallic Chemistry, Vol. 948, 121909, 01.09.2021.

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@article{de3055c6cb954c20b8560b038daf5913,
title = "Structures and thermal decomposition of complexes of E(C6F5)3 (E = Al, Ga, In) with pyridine",
abstract = "Complexes of group 13 element perfluorinated derivatives E(C6F5)3 (E = Al, Ga, In) with pyridine (Py) were synthesized and structurally characterized for the first time. Volatility and thermal stability of complexes was studied using mass-spectrometry, tenzimetry, TGA, and drop-calorimetry methods. Heating of complexes results in elimination of pentafluorobenzene, indicating E-C bond rupture. Thermodynamic characteristics of gaseous complexes and transition states for C6F4, HF and C6F5H elimination were obtained using quantum chemical methods. Possible mechanisms for the thermal decomposition of complexes are proposed on the basis of experimental and computational data.",
keywords = "DFT computations, Group 13 tris(pentafluorophenyl) Lewis acids, Pyridine, Structure, Thermal stability, POLYMERS, THERMOCHEMISTRY, TRIHALIDES, REACTIVITY, FRUSTRATED LEWIS PAIRS, POLYMERIZATION, ELEMENTS, CHEMISTRY, ALCL3-PYRIDINE ADDUCTS, DERIVATIVES",
author = "Shcherbina, {Nadezhda A.} and Kazakov, {Igor V.} and Pomogaeva, {Anna V.} and Lisovenko, {Anna S.} and Kryukova, {Mariya A.} and Doinikov, {Dmitry A.} and Gugin, {Nikita Yu} and Kondrat'ev, {Yuri V.} and Timoshkin, {Alexey Y.}",
note = "Publisher Copyright: {\textcopyright} 2021",
year = "2021",
month = sep,
day = "1",
doi = "10.1016/j.jorganchem.2021.121909",
language = "English",
volume = "948",
journal = "Journal of Organometallic Chemistry",
issn = "0022-328X",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Structures and thermal decomposition of complexes of E(C6F5)3 (E = Al, Ga, In) with pyridine

AU - Shcherbina, Nadezhda A.

AU - Kazakov, Igor V.

AU - Pomogaeva, Anna V.

AU - Lisovenko, Anna S.

AU - Kryukova, Mariya A.

AU - Doinikov, Dmitry A.

AU - Gugin, Nikita Yu

AU - Kondrat'ev, Yuri V.

AU - Timoshkin, Alexey Y.

N1 - Publisher Copyright: © 2021

PY - 2021/9/1

Y1 - 2021/9/1

N2 - Complexes of group 13 element perfluorinated derivatives E(C6F5)3 (E = Al, Ga, In) with pyridine (Py) were synthesized and structurally characterized for the first time. Volatility and thermal stability of complexes was studied using mass-spectrometry, tenzimetry, TGA, and drop-calorimetry methods. Heating of complexes results in elimination of pentafluorobenzene, indicating E-C bond rupture. Thermodynamic characteristics of gaseous complexes and transition states for C6F4, HF and C6F5H elimination were obtained using quantum chemical methods. Possible mechanisms for the thermal decomposition of complexes are proposed on the basis of experimental and computational data.

AB - Complexes of group 13 element perfluorinated derivatives E(C6F5)3 (E = Al, Ga, In) with pyridine (Py) were synthesized and structurally characterized for the first time. Volatility and thermal stability of complexes was studied using mass-spectrometry, tenzimetry, TGA, and drop-calorimetry methods. Heating of complexes results in elimination of pentafluorobenzene, indicating E-C bond rupture. Thermodynamic characteristics of gaseous complexes and transition states for C6F4, HF and C6F5H elimination were obtained using quantum chemical methods. Possible mechanisms for the thermal decomposition of complexes are proposed on the basis of experimental and computational data.

KW - DFT computations

KW - Group 13 tris(pentafluorophenyl) Lewis acids

KW - Pyridine

KW - Structure

KW - Thermal stability

KW - POLYMERS

KW - THERMOCHEMISTRY

KW - TRIHALIDES

KW - REACTIVITY

KW - FRUSTRATED LEWIS PAIRS

KW - POLYMERIZATION

KW - ELEMENTS

KW - CHEMISTRY

KW - ALCL3-PYRIDINE ADDUCTS

KW - DERIVATIVES

UR - http://www.scopus.com/inward/record.url?scp=85107780120&partnerID=8YFLogxK

U2 - 10.1016/j.jorganchem.2021.121909

DO - 10.1016/j.jorganchem.2021.121909

M3 - Article

AN - SCOPUS:85107780120

VL - 948

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

SN - 0022-328X

M1 - 121909

ER -

ID: 84604990