Research output: Contribution to journal › Article › peer-review
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, 01.06.2019, p. 1162–1168.Research output: Contribution to journal › Article › peer-review
}
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.
N1 - Publisher Copyright: © 2019, Pleiades Publishing, Ltd.
PY - 2019/6/1
Y1 - 2019/6/1
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
KW - ELEMENTS
KW - PERFLUOROPHENYL DERIVATIVES
KW - PYRIDINE
KW - BASIS-SETS
UR - http://www.scopus.com/inward/record.url?scp=85068666996&partnerID=8YFLogxK
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 -
ID: 43297020