Quantum-Chemical Study the Nature of Coordination Bond in SiCl4&larr;N(CH3)3 Complex

Valentin Petrovich Feshin; Elena Valentinovna Feshina

doi:doi:10.11648/j.mc.20160406.13

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Quantum-Chemical Study the Nature of Coordination Bond in SiCl₄←N(CH₃)₃ Complex

Valentin Petrovich Feshin, Elena Valentinovna Feshina

Published in Modern Chemistry (Volume 4, Issue 6)

Received: 27 September 2016 Accepted: 20 October 2016 Published: 18 January 2017

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Abstract

Quantum-chemical calculations were performed for the system SiCl₄←N(CH₃)₃ using the MP2/6-31+G(d) level with total optimization of its geometry and at different fixed Si…N distances (from 1.9 to 4.5 Å). The coordination bond in the complex is a result of participation ofdifferent AO’s of N and Si atoms (along with orbitals of other atoms of the molecule) in the formation of a series of MO’s, the number of which increases on convergence of coordination centers. This coordination bond is of the same nature as covalent bond is. Formation of such bond results in variations in partial charges of atoms and in populations of their orbitals.

Published in	Modern Chemistry (Volume 4, Issue 6)
DOI	10.11648/j.mc.20160406.13
Page(s)	67-72
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2017. Published by Science Publishing Group

Keywords

Nature of Coordination Bond, SiCl₄←N(CH₃)₃ Complex, AbInitio Calculations, MP2/6-31G(d) Level, Nuclear Quadrupoleresonance, Molecular Orbitals

References

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Valentin Petrovich Feshin, Elena Valentinovna Feshina. (2017). Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex. Modern Chemistry, 4(6), 67-72. https://doi.org/10.11648/j.mc.20160406.13

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ACS Style

Valentin Petrovich Feshin; Elena Valentinovna Feshina. Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex. Mod. Chem. 2017, 4(6), 67-72. doi: 10.11648/j.mc.20160406.13

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AMA Style

Valentin Petrovich Feshin, Elena Valentinovna Feshina. Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex. Mod Chem. 2017;4(6):67-72. doi: 10.11648/j.mc.20160406.13

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@article{10.11648/j.mc.20160406.13,
  author = {Valentin Petrovich Feshin and Elena Valentinovna Feshina},
  title = {Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex},
  journal = {Modern Chemistry},
  volume = {4},
  number = {6},
  pages = {67-72},
  doi = {10.11648/j.mc.20160406.13},
  url = {https://doi.org/10.11648/j.mc.20160406.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.mc.20160406.13},
  abstract = {Quantum-chemical calculations were performed for the system SiCl4←N(CH3)3 using the MP2/6-31+G(d) level with total optimization of its geometry and at different fixed Si…N distances (from 1.9 to 4.5 Å). The coordination bond in the complex is a result of participation ofdifferent AO’s of N and Si atoms (along with orbitals of other atoms of the molecule) in the formation of a series of MO’s, the number of which increases on convergence of coordination centers. This coordination bond is of the same nature as covalent bond is. Formation of such bond results in variations in partial charges of atoms and in populations of their orbitals.},
 year = {2017}
}

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TY  - JOUR
T1  - Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex
AU  - Valentin Petrovich Feshin
AU  - Elena Valentinovna Feshina
Y1  - 2017/01/18
PY  - 2017
N1  - https://doi.org/10.11648/j.mc.20160406.13
DO  - 10.11648/j.mc.20160406.13
T2  - Modern Chemistry
JF  - Modern Chemistry
JO  - Modern Chemistry
SP  - 67
EP  - 72
PB  - Science Publishing Group
SN  - 2329-180X
UR  - https://doi.org/10.11648/j.mc.20160406.13
AB  - Quantum-chemical calculations were performed for the system SiCl4←N(CH3)3 using the MP2/6-31+G(d) level with total optimization of its geometry and at different fixed Si…N distances (from 1.9 to 4.5 Å). The coordination bond in the complex is a result of participation ofdifferent AO’s of N and Si atoms (along with orbitals of other atoms of the molecule) in the formation of a series of MO’s, the number of which increases on convergence of coordination centers. This coordination bond is of the same nature as covalent bond is. Formation of such bond results in variations in partial charges of atoms and in populations of their orbitals.
VL  - 4
IS  - 6
ER  -

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Author Information

Valentin Petrovich Feshin

Institute of Technical Chemistry, Ural Branch of the Russian Academy of Sciences, Perm, Russian Federation
Elena Valentinovna Feshina

Institute of Technical Chemistry, Ural Branch of the Russian Academy of Sciences, Perm, Russian Federation

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APA Style

Valentin Petrovich Feshin, Elena Valentinovna Feshina. (2017). Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex. Modern Chemistry, 4(6), 67-72. https://doi.org/10.11648/j.mc.20160406.13

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ACS Style

Valentin Petrovich Feshin; Elena Valentinovna Feshina. Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex. Mod. Chem. 2017, 4(6), 67-72. doi: 10.11648/j.mc.20160406.13

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AMA Style

Valentin Petrovich Feshin, Elena Valentinovna Feshina. Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex. Mod Chem. 2017;4(6):67-72. doi: 10.11648/j.mc.20160406.13

Copy | Download

@article{10.11648/j.mc.20160406.13,
  author = {Valentin Petrovich Feshin and Elena Valentinovna Feshina},
  title = {Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex},
  journal = {Modern Chemistry},
  volume = {4},
  number = {6},
  pages = {67-72},
  doi = {10.11648/j.mc.20160406.13},
  url = {https://doi.org/10.11648/j.mc.20160406.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.mc.20160406.13},
  abstract = {Quantum-chemical calculations were performed for the system SiCl4←N(CH3)3 using the MP2/6-31+G(d) level with total optimization of its geometry and at different fixed Si…N distances (from 1.9 to 4.5 Å). The coordination bond in the complex is a result of participation ofdifferent AO’s of N and Si atoms (along with orbitals of other atoms of the molecule) in the formation of a series of MO’s, the number of which increases on convergence of coordination centers. This coordination bond is of the same nature as covalent bond is. Formation of such bond results in variations in partial charges of atoms and in populations of their orbitals.},
 year = {2017}
}

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TY  - JOUR
T1  - Quantum-Chemical Study the Nature of Coordination Bond in SiCl4←N(CH3)3 Complex
AU  - Valentin Petrovich Feshin
AU  - Elena Valentinovna Feshina
Y1  - 2017/01/18
PY  - 2017
N1  - https://doi.org/10.11648/j.mc.20160406.13
DO  - 10.11648/j.mc.20160406.13
T2  - Modern Chemistry
JF  - Modern Chemistry
JO  - Modern Chemistry
SP  - 67
EP  - 72
PB  - Science Publishing Group
SN  - 2329-180X
UR  - https://doi.org/10.11648/j.mc.20160406.13
AB  - Quantum-chemical calculations were performed for the system SiCl4←N(CH3)3 using the MP2/6-31+G(d) level with total optimization of its geometry and at different fixed Si…N distances (from 1.9 to 4.5 Å). The coordination bond in the complex is a result of participation ofdifferent AO’s of N and Si atoms (along with orbitals of other atoms of the molecule) in the formation of a series of MO’s, the number of which increases on convergence of coordination centers. This coordination bond is of the same nature as covalent bond is. Formation of such bond results in variations in partial charges of atoms and in populations of their orbitals.
VL  - 4
IS  - 6
ER  -

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