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Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors : V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline. / Davydova, E. I.; Timoshkin, A. Yu; Sevast'yanova, T. N.; Suvorov, A. V.; Schaefer, H. F.

в: Russian Journal of General Chemistry, Том 73, № 11, 11.2003, стр. 1742-1750.

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

Harvard

Davydova, EI, Timoshkin, AY, Sevast'yanova, TN, Suvorov, AV & Schaefer, HF 2003, 'Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors: V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline', Russian Journal of General Chemistry, Том. 73, № 11, стр. 1742-1750. https://doi.org/10.1023/B:RUGC.0000018651.55510.95

APA

Davydova, E. I., Timoshkin, A. Y., Sevast'yanova, T. N., Suvorov, A. V., & Schaefer, H. F. (2003). Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors: V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline. Russian Journal of General Chemistry, 73(11), 1742-1750. https://doi.org/10.1023/B:RUGC.0000018651.55510.95

Vancouver

Davydova EI, Timoshkin AY, Sevast'yanova TN, Suvorov AV, Schaefer HF. Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors: V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline. Russian Journal of General Chemistry. 2003 Нояб.;73(11):1742-1750. https://doi.org/10.1023/B:RUGC.0000018651.55510.95

Author

Davydova, E. I. ; Timoshkin, A. Yu ; Sevast'yanova, T. N. ; Suvorov, A. V. ; Schaefer, H. F. / Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors : V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline. в: Russian Journal of General Chemistry. 2003 ; Том 73, № 11. стр. 1742-1750.

BibTeX

@article{9de017656ff846f0abbff77282642447,
title = "Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors: V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline",
abstract = "Structural and thermodynamic characteristics of adducts of silicon tetrahalides with 2,2′-bipyridine and 1,10-phenanthroline were calculated by the DFT B3LYP method. The enthalpies of sublimation of SiCl 4·2,2′-bipyridine, reconstruction energies for donor and acceptor fragments, and energies of Si-N bonds in the complexes under consideration were estimated using the data obtained. These characteristics were compared with similar data for pyridine complexes. The chelate effect on the energy of Si-N bonds upon replacement of pyridine by 2,2′-bipyridine and 1,10-phenanthroline was discussed. The significant reconstruction of the bidentate donor upon the complex formation levels off the chelate effect.",
author = "Davydova, {E. I.} and Timoshkin, {A. Yu} and Sevast'yanova, {T. N.} and Suvorov, {A. V.} and Schaefer, {H. F.}",
year = "2003",
month = nov,
doi = "10.1023/B:RUGC.0000018651.55510.95",
language = "English",
volume = "73",
pages = "1742--1750",
journal = "Russian Journal of General Chemistry",
issn = "1070-3632",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "11",

}

RIS

TY - JOUR

T1 - Quantum-chemical study of adducts of silicon halides with nitrogen-containing donors

T2 - V. Adducts with 2,2′-bipyridine and 1,10-phenanthroline

AU - Davydova, E. I.

AU - Timoshkin, A. Yu

AU - Sevast'yanova, T. N.

AU - Suvorov, A. V.

AU - Schaefer, H. F.

PY - 2003/11

Y1 - 2003/11

N2 - Structural and thermodynamic characteristics of adducts of silicon tetrahalides with 2,2′-bipyridine and 1,10-phenanthroline were calculated by the DFT B3LYP method. The enthalpies of sublimation of SiCl 4·2,2′-bipyridine, reconstruction energies for donor and acceptor fragments, and energies of Si-N bonds in the complexes under consideration were estimated using the data obtained. These characteristics were compared with similar data for pyridine complexes. The chelate effect on the energy of Si-N bonds upon replacement of pyridine by 2,2′-bipyridine and 1,10-phenanthroline was discussed. The significant reconstruction of the bidentate donor upon the complex formation levels off the chelate effect.

AB - Structural and thermodynamic characteristics of adducts of silicon tetrahalides with 2,2′-bipyridine and 1,10-phenanthroline were calculated by the DFT B3LYP method. The enthalpies of sublimation of SiCl 4·2,2′-bipyridine, reconstruction energies for donor and acceptor fragments, and energies of Si-N bonds in the complexes under consideration were estimated using the data obtained. These characteristics were compared with similar data for pyridine complexes. The chelate effect on the energy of Si-N bonds upon replacement of pyridine by 2,2′-bipyridine and 1,10-phenanthroline was discussed. The significant reconstruction of the bidentate donor upon the complex formation levels off the chelate effect.

UR - http://www.scopus.com/inward/record.url?scp=3543000520&partnerID=8YFLogxK

U2 - 10.1023/B:RUGC.0000018651.55510.95

DO - 10.1023/B:RUGC.0000018651.55510.95

M3 - Article

AN - SCOPUS:3543000520

VL - 73

SP - 1742

EP - 1750

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 11

ER -

ID: 17373744