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Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine. / Parfeniuk, T. N.; Kazakov, I. V.; Pomogaeva, A. V.; Lisovenko, A. S.; Lӧwe, P.; Dielmann, F.; Timoshkin, A. Y.

в: Polyhedron, Том 227, 116138, 15.11.2022.

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

Harvard

Parfeniuk, TN, Kazakov, IV, Pomogaeva, AV, Lisovenko, AS, Lӧwe, P, Dielmann, F & Timoshkin, AY 2022, 'Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine', Polyhedron, Том. 227, 116138. https://doi.org/10.1016/j.poly.2022.116138

APA

Parfeniuk, T. N., Kazakov, I. V., Pomogaeva, A. V., Lisovenko, A. S., Lӧwe, P., Dielmann, F., & Timoshkin, A. Y. (2022). Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine. Polyhedron, 227, [116138]. https://doi.org/10.1016/j.poly.2022.116138

Vancouver

Parfeniuk TN, Kazakov IV, Pomogaeva AV, Lisovenko AS, Lӧwe P, Dielmann F и пр. Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine. Polyhedron. 2022 Нояб. 15;227. 116138. https://doi.org/10.1016/j.poly.2022.116138

Author

Parfeniuk, T. N. ; Kazakov, I. V. ; Pomogaeva, A. V. ; Lisovenko, A. S. ; Lӧwe, P. ; Dielmann, F. ; Timoshkin, A. Y. / Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine. в: Polyhedron. 2022 ; Том 227.

BibTeX

@article{77d644e3519449fba7d4719db51b8f32,
title = "Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine",
abstract = "Tensimetric studies on the reactivity of cationic oxo- (I[BArF24]) and thiophosphonium (II[BArF24]) Lewis acids towards the reference Lewis bases acetonitrile and pyridine are reported ([BArF24]− = tetrakis[2,6-bis(trifluoromethyl)phenyl]borate). I[BArF24] forms a thermally stable 1:1 complex with pyridine and a solvate with acetonitrile, while II[BArF24] forms a labile complex with pyridine and a solvate with acetonitrile. The crystal structure of the acetonitrile solvate of I[BArF24] was determined by X-ray structural analysis. At elevated temperatures, reactions of perfluorinated anions with the glass of the apparatus were observed. Quantum chemical computations indicate that the Lewis acids undergo significant reorganization upon complex formation with pyridine. The stability of the cationic complexes with respect to dissociation decreases in the order I+·Py > II+·Py > I+·AN > II+·AN. Solvation in benzene and acetonitrile decreases dissociation energies of the complexes by 5 – 20 kJ mol−1. Acetonitrile appears to be a suitable solvent for the reactivity studies of cationic oxo- and thiophosphonium Lewis acids.",
keywords = "Acetonitrile, DFT computations, Oxo- and thiophosphonium Lewis acids, Pyridine, Tensimetry",
author = "Parfeniuk, {T. N.} and Kazakov, {I. V.} and Pomogaeva, {A. V.} and Lisovenko, {A. S.} and P. Lӧwe and F. Dielmann and Timoshkin, {A. Y.}",
note = "Publisher Copyright: {\textcopyright} 2022 Elsevier Ltd",
year = "2022",
month = nov,
day = "15",
doi = "10.1016/j.poly.2022.116138",
language = "English",
volume = "227",
journal = "Polyhedron",
issn = "0277-5387",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Reactivity of oxo- and thiophosphonium Lewis acids towards acetonitrile and pyridine

AU - Parfeniuk, T. N.

AU - Kazakov, I. V.

AU - Pomogaeva, A. V.

AU - Lisovenko, A. S.

AU - Lӧwe, P.

AU - Dielmann, F.

AU - Timoshkin, A. Y.

N1 - Publisher Copyright: © 2022 Elsevier Ltd

PY - 2022/11/15

Y1 - 2022/11/15

N2 - Tensimetric studies on the reactivity of cationic oxo- (I[BArF24]) and thiophosphonium (II[BArF24]) Lewis acids towards the reference Lewis bases acetonitrile and pyridine are reported ([BArF24]− = tetrakis[2,6-bis(trifluoromethyl)phenyl]borate). I[BArF24] forms a thermally stable 1:1 complex with pyridine and a solvate with acetonitrile, while II[BArF24] forms a labile complex with pyridine and a solvate with acetonitrile. The crystal structure of the acetonitrile solvate of I[BArF24] was determined by X-ray structural analysis. At elevated temperatures, reactions of perfluorinated anions with the glass of the apparatus were observed. Quantum chemical computations indicate that the Lewis acids undergo significant reorganization upon complex formation with pyridine. The stability of the cationic complexes with respect to dissociation decreases in the order I+·Py > II+·Py > I+·AN > II+·AN. Solvation in benzene and acetonitrile decreases dissociation energies of the complexes by 5 – 20 kJ mol−1. Acetonitrile appears to be a suitable solvent for the reactivity studies of cationic oxo- and thiophosphonium Lewis acids.

AB - Tensimetric studies on the reactivity of cationic oxo- (I[BArF24]) and thiophosphonium (II[BArF24]) Lewis acids towards the reference Lewis bases acetonitrile and pyridine are reported ([BArF24]− = tetrakis[2,6-bis(trifluoromethyl)phenyl]borate). I[BArF24] forms a thermally stable 1:1 complex with pyridine and a solvate with acetonitrile, while II[BArF24] forms a labile complex with pyridine and a solvate with acetonitrile. The crystal structure of the acetonitrile solvate of I[BArF24] was determined by X-ray structural analysis. At elevated temperatures, reactions of perfluorinated anions with the glass of the apparatus were observed. Quantum chemical computations indicate that the Lewis acids undergo significant reorganization upon complex formation with pyridine. The stability of the cationic complexes with respect to dissociation decreases in the order I+·Py > II+·Py > I+·AN > II+·AN. Solvation in benzene and acetonitrile decreases dissociation energies of the complexes by 5 – 20 kJ mol−1. Acetonitrile appears to be a suitable solvent for the reactivity studies of cationic oxo- and thiophosphonium Lewis acids.

KW - Acetonitrile

KW - DFT computations

KW - Oxo- and thiophosphonium Lewis acids

KW - Pyridine

KW - Tensimetry

UR - http://www.scopus.com/inward/record.url?scp=85138333996&partnerID=8YFLogxK

U2 - 10.1016/j.poly.2022.116138

DO - 10.1016/j.poly.2022.116138

M3 - Article

AN - SCOPUS:85138333996

VL - 227

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

M1 - 116138

ER -

ID: 100307262