Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine

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Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine. / Davydova, E. I. ; Virovets, A. V.; Peresypkina, E. V.; Timoshkin, A. Yu. .

In: Russian Journal of General Chemistry, Vol. 91, No. 10, 10.2021, p. 1964–1968.

Research output: Contribution to journal › Article › peer-review

Author

Davydova, E. I. ; Virovets, A. V. ; Peresypkina, E. V. ; Timoshkin, A. Yu. . / Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine. In: Russian Journal of General Chemistry. 2021 ; Vol. 91, No. 10. pp. 1964–1968.

BibTeX

@article{45f5112d7d344fb7a770e37a1ce21edb,

title = "Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine",

abstract = "The crystal structure of the silicon tetrafluoride molecular complex with 4-phenylpyridine SiF4·2ppy has been determined by X-ray diffraction analysis. Although 4-phenylpyridine has a higher proton affinity than pyridine, the Si–N bond length in crystalline SiF4·2Py is shorter by 0.03(2) {\AA} than in SiF4·2ppy. The energies of donor-acceptor Si–N bonds in SiF4·2Py (220.6 kJ/mol) and SiF4·2ppy (225.0 kJ/mol) calculated by the M06-2X/def2-TZVP method agree with a slightly higher proton affinity of 4-phenylpyridine.",

keywords = "silicon tetrafluoride, 4-phenylpyridine, molecular complexes, crystal structure, quantum chemical computations, silicon tetrafluoride, 4-phenylpyridine, molecular complexes, crystal structure, quantum chemical computations",

author = "Davydova, {E. I.} and Virovets, {A. V.} and Peresypkina, {E. V.} and Timoshkin, {A. Yu.}",

note = "Publisher Copyright: {\textcopyright} 2021, Pleiades Publishing, Ltd.",

year = "2021",

month = oct,

doi = "10.1134/s1070363221100066",

language = "English",

volume = "91",

pages = "1964–1968",

journal = "Russian Journal of General Chemistry",

issn = "1070-3632",

publisher = "МАИК {"}Наука/Интерпериодика{"}",

number = "10",

}

RIS

TY - JOUR

T1 - Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine

AU - Davydova, E. I.

AU - Virovets, A. V.

AU - Peresypkina, E. V.

AU - Timoshkin, A. Yu.

PY - 2021/10

Y1 - 2021/10

N2 - The crystal structure of the silicon tetrafluoride molecular complex with 4-phenylpyridine SiF4·2ppy has been determined by X-ray diffraction analysis. Although 4-phenylpyridine has a higher proton affinity than pyridine, the Si–N bond length in crystalline SiF4·2Py is shorter by 0.03(2) Å than in SiF4·2ppy. The energies of donor-acceptor Si–N bonds in SiF4·2Py (220.6 kJ/mol) and SiF4·2ppy (225.0 kJ/mol) calculated by the M06-2X/def2-TZVP method agree with a slightly higher proton affinity of 4-phenylpyridine.

AB - The crystal structure of the silicon tetrafluoride molecular complex with 4-phenylpyridine SiF4·2ppy has been determined by X-ray diffraction analysis. Although 4-phenylpyridine has a higher proton affinity than pyridine, the Si–N bond length in crystalline SiF4·2Py is shorter by 0.03(2) Å than in SiF4·2ppy. The energies of donor-acceptor Si–N bonds in SiF4·2Py (220.6 kJ/mol) and SiF4·2ppy (225.0 kJ/mol) calculated by the M06-2X/def2-TZVP method agree with a slightly higher proton affinity of 4-phenylpyridine.

KW - silicon tetrafluoride

KW - 4-phenylpyridine

KW - molecular complexes

KW - crystal structure

KW - quantum chemical computations

KW - silicon tetrafluoride

KW - 4-phenylpyridine

KW - molecular complexes

KW - crystal structure

KW - quantum chemical computations

UR - https://link.springer.com/article/10.1134%2FS1070363221100066

UR - http://www.scopus.com/inward/record.url?scp=85118724768&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/76c0db8e-0997-3eb5-ba7d-f84de3e784c5/

U2 - 10.1134/s1070363221100066

DO - 10.1134/s1070363221100066

M3 - Article

VL - 91

SP - 1964

EP - 1968

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 10

ER -

ID: 87892480