Thermal Decomposition of B(C6F5)3·Py Complex

N.A. Shcherbina, I.V. Kazakov, N.Yu. Gugin, A.S. Lisovenko, A.V. Pomogaeva, Yu.V. Kondrat’ev, V.V. Suslonov, A.Yu. Timoshkin

Результат исследований: Научные публикации в периодических изданияхстатьянаучнаярецензирование

Выдержка

The crystal structure of the new polymorphic modification of B(C6F5)(3)Py complex was determined. It was shown by a static tensimetric method using a membrane null manometer that in the condensed phase in an excess of pyridine, B(C6F5)(3)Py complex is stable up to 220 degrees C. When temperature rises to 230 degrees C, the complex undergoes irreversible thermal decomposition, with the release of pentafluorobenzene and the polymerization of pyridine. The sublimation enthalpy of B(C6F5)(3)Py was determined for the first time by the calorimetric method. The results of quantum chemical calculations using the M06-2X method provide qualitative agreement with the experiment, in contrast to the B3LYP method.

Язык оригиналаанглийский
Страницы (с-по)1162–1168
ЖурналRussian Journal of General Chemistry
Том89
Номер выпуска6
DOI
СостояниеОпубликовано - июн 2019

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abstract = "The crystal structure of the new polymorphic modification of B(C6F5)(3)Py complex was determined. It was shown by a static tensimetric method using a membrane null manometer that in the condensed phase in an excess of pyridine, B(C6F5)(3)Py complex is stable up to 220 degrees C. When temperature rises to 230 degrees C, the complex undergoes irreversible thermal decomposition, with the release of pentafluorobenzene and the polymerization of pyridine. The sublimation enthalpy of B(C6F5)(3)Py was determined for the first time by the calorimetric method. The results of quantum chemical calculations using the M06-2X method provide qualitative agreement with the experiment, in contrast to the B3LYP method.",
keywords = "calorimetry, donor-acceptor complex, pyridine, sublimation, tensimetry, tris(pentafluorophenyl)borane",
author = "N.A. Shcherbina and I.V. Kazakov and N.Yu. Gugin and A.S. Lisovenko and A.V. Pomogaeva and Yu.V. Kondrat’ev and V.V. Suslonov and A.Yu. Timoshkin",
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Thermal Decomposition of B(C6F5)3·Py Complex. / Shcherbina, N.A.; Kazakov, I.V.; Gugin, N.Yu.; Lisovenko, A.S.; Pomogaeva, A.V.; Kondrat’ev, Yu.V.; Suslonov, V.V.; Timoshkin, A.Yu.

В: Russian Journal of General Chemistry, Том 89, № 6, 06.2019, стр. 1162–1168.

Результат исследований: Научные публикации в периодических изданияхстатьянаучнаярецензирование

TY - JOUR

T1 - Thermal Decomposition of B(C6F5)3·Py Complex

AU - Shcherbina, N.A.

AU - Kazakov, I.V.

AU - Gugin, N.Yu.

AU - Lisovenko, A.S.

AU - Pomogaeva, A.V.

AU - Kondrat’ev, Yu.V.

AU - Suslonov, V.V.

AU - Timoshkin, A.Yu.

PY - 2019/6

Y1 - 2019/6

N2 - The crystal structure of the new polymorphic modification of B(C6F5)(3)Py complex was determined. It was shown by a static tensimetric method using a membrane null manometer that in the condensed phase in an excess of pyridine, B(C6F5)(3)Py complex is stable up to 220 degrees C. When temperature rises to 230 degrees C, the complex undergoes irreversible thermal decomposition, with the release of pentafluorobenzene and the polymerization of pyridine. The sublimation enthalpy of B(C6F5)(3)Py was determined for the first time by the calorimetric method. The results of quantum chemical calculations using the M06-2X method provide qualitative agreement with the experiment, in contrast to the B3LYP method.

AB - The crystal structure of the new polymorphic modification of B(C6F5)(3)Py complex was determined. It was shown by a static tensimetric method using a membrane null manometer that in the condensed phase in an excess of pyridine, B(C6F5)(3)Py complex is stable up to 220 degrees C. When temperature rises to 230 degrees C, the complex undergoes irreversible thermal decomposition, with the release of pentafluorobenzene and the polymerization of pyridine. The sublimation enthalpy of B(C6F5)(3)Py was determined for the first time by the calorimetric method. The results of quantum chemical calculations using the M06-2X method provide qualitative agreement with the experiment, in contrast to the B3LYP method.

KW - calorimetry

KW - donor-acceptor complex

KW - pyridine

KW - sublimation

KW - tensimetry

KW - tris(pentafluorophenyl)borane

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U2 - 10.1134/S1070363219060100

DO - 10.1134/S1070363219060100

M3 - Article

VL - 89

SP - 1162

EP - 1168

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

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