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.

Original languageEnglish
Pages (from-to)1162–1168
JournalRussian Journal of General Chemistry
Volume89
Issue number6
DOIs
Publication statusPublished - Jun 2019

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Manometers
Sublimation
Enthalpy
Pyrolysis
Crystal structure
Polymerization
Membranes
Experiments
Temperature
pyridine
benzocycloheptapyridine

Scopus subject areas

  • Chemistry(all)

Cite this

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title = "Thermal Decomposition of B(C6F5)3·Py Complex",
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",
year = "2019",
month = "6",
doi = "10.1134/S1070363219060100",
language = "English",
volume = "89",
pages = "1162–1168",
journal = "Russian Journal of General Chemistry",
issn = "1070-3632",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "6",

}

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.

In: Russian Journal of General Chemistry, Vol. 89, No. 6, 06.2019, p. 1162–1168.

Research output

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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UR - https://www.mendeley.com/catalogue/thermal-decomposition-bc6f53py-complex/

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

IS - 6

ER -