The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids

Аssyl Boshkayeva; Roza Omarova; Assel Kozhamzharovа; Aigul Uvaganova; Gulzira Aitzhanova; Bolat Zhanturiyev; Manas Omurzakov; Daniyar Abdambaev

doi:doi:10.11648/j.cmr.20160503.16

The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids

Аssyl Boshkayeva, Roza Omarova, Assel Kozhamzharovа, Aigul Uvaganova, Gulzira Aitzhanova, Bolat Zhanturiyev, Manas Omurzakov, Daniyar Abdambaev

Published in Clinical Medicine Research (Volume 5, Issue 3)

Received: 20 February 2016 Accepted: 10 March 2016 Published: 20 May 2016

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Abstract

Quantum-chemical study of molecular objects, such as organic amine systems protonated inorganic acids, it becomes important not only to establish the characteristics of the geometric and electronic structure of the starting amides and their complexes, but also allows you to set a semi-empirical model of the protonation process by identifying patterns of change in the basic parameters of the structure. Comparative analysis of the characteristics of spatial and electronic structure model systems-substituted-acetamide inorganic acids (HF, HCl, H₂SO₄) on the basis of quantum-chemical calculations by PM3 bond lengths, the charge characteristics of the ionization potential of the dipole moments and led to the following conclusions: - In systems-alkyl derivatives acetamide hydrofluoric acid is a significant change in the bond lengths and values of the electronic characteristics is not observed; - In systems alkyls acetamide-HCl, H₂SO₄ lengths of C=O and C-N depend upon the nature of the inorganic acid and the change in the electronic characteristics during protonation independent of acid strength and due to the characteristics of their spatial and electronic structure and nature of the alkyl substituents in amino acetamide group.

Published in	Clinical Medicine Research (Volume 5, Issue 3)
DOI	10.11648/j.cmr.20160503.16
Page(s)	45-51
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), 2016. Published by Science Publishing Group

Keywords

Quantum-Chemical Method, The Geometric Structure, Electronic Structure, Electronic Redistribution, Alkylamides, Inorganic Acids

References

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[10]	Tautovа E. N., Omarova R. A., Erkasov R. Sh. Comparative evaluation of the geometrical parameters of the benzamide compounds and salicylamide with perchloric acid // Proceedings of the international scientific-practical conf. "Valihanovskу read-12." - Kokshetau, 2007. - Volume 4. - Р. 430-434.
[11]	Omarova R. A., Tautovа E. N., Erkasov R. Sh., Nurakhmetov N. N. Electronic features protonated molecule forms trichloroacetamide // Herald TREASURY. Chemical Series. - 2004. - № 4 (36). - Р. 314-316.
[12]	Tautovа E. N., Erkasov R. Sh., Omarova R. A. Evaluation of the electronic structure cyanogenacetamide compounds with inorganic acids composition of 2: 1 // Proceedings of the V International Scientific and Practical Conference. "Science and Education 2007". - Dnepropetrovsk, 2007. - Vol.10. - Р. 8-11.
[13]	Tautovа E. N., Omarova R. A., Erkasov R. Sh. Comparison of electronic and energy characteristics of the O- and N-protonated forms of the molecule cyanogenacetamide // Proceedings of the International Scientific and Practical Conference. "Modern trends in theoretical and applied research." - Odessa, 2007. - T.18. - P. 3-7.
[14]	Erkasov R. Sh., Tautova E. N., Omarova R. A. The structure of compounds derived from inorganic acids acetamide // Proceedings of the International Scientific and Practical Conference. "Valihanovsky read-12." - Kokshetau, 2007. - Volume 4. - P. 328-332.
[15]	Tautova E. N., Erkasov R. Sh., Omarova R. A. Assessment of geometrical structure ftoracetamide compounds trichloroacetamide, cyanogenacetamide with perchloric acid // Proceedings of the II International Scientific and Practical Conference. "Future development of science and technology -"2006". - Dnepropetrovsk, 2006 - T.7. - P. 18-21.

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Аssyl Boshkayeva, Roza Omarova, Assel Kozhamzharovа, Aigul Uvaganova, Gulzira Aitzhanova, et al. (2016). The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids. Clinical Medicine Research, 5(3), 45-51. https://doi.org/10.11648/j.cmr.20160503.16

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ACS Style

Аssyl Boshkayeva; Roza Omarova; Assel Kozhamzharovа; Aigul Uvaganova; Gulzira Aitzhanova, et al. The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids. Clin. Med. Res. 2016, 5(3), 45-51. doi: 10.11648/j.cmr.20160503.16

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AMA Style

Аssyl Boshkayeva, Roza Omarova, Assel Kozhamzharovа, Aigul Uvaganova, Gulzira Aitzhanova, et al. The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids. Clin Med Res. 2016;5(3):45-51. doi: 10.11648/j.cmr.20160503.16

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@article{10.11648/j.cmr.20160503.16,
  author = {Аssyl Boshkayeva and Roza Omarova and Assel Kozhamzharovа and Aigul Uvaganova and Gulzira Aitzhanova and Bolat Zhanturiyev and Manas Omurzakov and Daniyar Abdambaev},
  title = {The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids},
  journal = {Clinical Medicine Research},
  volume = {5},
  number = {3},
  pages = {45-51},
  doi = {10.11648/j.cmr.20160503.16},
  url = {https://doi.org/10.11648/j.cmr.20160503.16},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cmr.20160503.16},
  abstract = {Quantum-chemical study of molecular objects, such as organic amine systems protonated inorganic acids, it becomes important not only to establish the characteristics of the geometric and electronic structure of the starting amides and their complexes, but also allows you to set a semi-empirical model of the protonation process by identifying patterns of change in the basic parameters of the structure. Comparative analysis of the characteristics of spatial and electronic structure model systems-substituted-acetamide inorganic acids (HF, HCl, H2SO4) on the basis of quantum-chemical calculations by PM3 bond lengths, the charge characteristics of the ionization potential of the dipole moments and led to the following conclusions: - In systems-alkyl derivatives acetamide hydrofluoric acid is a significant change in the bond lengths and values of the electronic characteristics is not observed; - In systems alkyls acetamide-HCl, H2SO4 lengths of C=O and C-N depend upon the nature of the inorganic acid and the change in the electronic characteristics during protonation independent of acid strength and due to the characteristics of their spatial and electronic structure and nature of the alkyl substituents in amino acetamide group.},
 year = {2016}
}

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TY  - JOUR
T1  - The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids
AU  - Аssyl Boshkayeva
AU  - Roza Omarova
AU  - Assel Kozhamzharovа
AU  - Aigul Uvaganova
AU  - Gulzira Aitzhanova
AU  - Bolat Zhanturiyev
AU  - Manas Omurzakov
AU  - Daniyar Abdambaev
Y1  - 2016/05/20
PY  - 2016
N1  - https://doi.org/10.11648/j.cmr.20160503.16
DO  - 10.11648/j.cmr.20160503.16
T2  - Clinical Medicine Research
JF  - Clinical Medicine Research
JO  - Clinical Medicine Research
SP  - 45
EP  - 51
PB  - Science Publishing Group
SN  - 2326-9057
UR  - https://doi.org/10.11648/j.cmr.20160503.16
AB  - Quantum-chemical study of molecular objects, such as organic amine systems protonated inorganic acids, it becomes important not only to establish the characteristics of the geometric and electronic structure of the starting amides and their complexes, but also allows you to set a semi-empirical model of the protonation process by identifying patterns of change in the basic parameters of the structure. Comparative analysis of the characteristics of spatial and electronic structure model systems-substituted-acetamide inorganic acids (HF, HCl, H2SO4) on the basis of quantum-chemical calculations by PM3 bond lengths, the charge characteristics of the ionization potential of the dipole moments and led to the following conclusions: - In systems-alkyl derivatives acetamide hydrofluoric acid is a significant change in the bond lengths and values of the electronic characteristics is not observed; - In systems alkyls acetamide-HCl, H2SO4 lengths of C=O and C-N depend upon the nature of the inorganic acid and the change in the electronic characteristics during protonation independent of acid strength and due to the characteristics of their spatial and electronic structure and nature of the alkyl substituents in amino acetamide group.
VL  - 5
IS  - 3
ER  -

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Author Information

Аssyl Boshkayeva

Pharmaceutical Faculty, Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Roza Omarova

Pharmaceutical Faculty, Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Assel Kozhamzharovа

Pharmaceutical Faculty, Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Aigul Uvaganova

The Faculty "General Medicine", Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Gulzira Aitzhanova

The Faculty "General Medicine", Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Bolat Zhanturiyev

Pharmaceutical Faculty, Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Manas Omurzakov

Pharmaceutical Faculty, Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan
Daniyar Abdambaev

Pharmaceutical Faculty, Asfendiyarov Kazakh National Medical University, Almaty, Republic of Kazakhstan

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APA Style

Аssyl Boshkayeva, Roza Omarova, Assel Kozhamzharovа, Aigul Uvaganova, Gulzira Aitzhanova, et al. (2016). The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids. Clinical Medicine Research, 5(3), 45-51. https://doi.org/10.11648/j.cmr.20160503.16

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ACS Style

Аssyl Boshkayeva; Roza Omarova; Assel Kozhamzharovа; Aigul Uvaganova; Gulzira Aitzhanova, et al. The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids. Clin. Med. Res. 2016, 5(3), 45-51. doi: 10.11648/j.cmr.20160503.16

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AMA Style

Аssyl Boshkayeva, Roza Omarova, Assel Kozhamzharovа, Aigul Uvaganova, Gulzira Aitzhanova, et al. The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids. Clin Med Res. 2016;5(3):45-51. doi: 10.11648/j.cmr.20160503.16

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@article{10.11648/j.cmr.20160503.16,
  author = {Аssyl Boshkayeva and Roza Omarova and Assel Kozhamzharovа and Aigul Uvaganova and Gulzira Aitzhanova and Bolat Zhanturiyev and Manas Omurzakov and Daniyar Abdambaev},
  title = {The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids},
  journal = {Clinical Medicine Research},
  volume = {5},
  number = {3},
  pages = {45-51},
  doi = {10.11648/j.cmr.20160503.16},
  url = {https://doi.org/10.11648/j.cmr.20160503.16},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cmr.20160503.16},
  abstract = {Quantum-chemical study of molecular objects, such as organic amine systems protonated inorganic acids, it becomes important not only to establish the characteristics of the geometric and electronic structure of the starting amides and their complexes, but also allows you to set a semi-empirical model of the protonation process by identifying patterns of change in the basic parameters of the structure. Comparative analysis of the characteristics of spatial and electronic structure model systems-substituted-acetamide inorganic acids (HF, HCl, H2SO4) on the basis of quantum-chemical calculations by PM3 bond lengths, the charge characteristics of the ionization potential of the dipole moments and led to the following conclusions: - In systems-alkyl derivatives acetamide hydrofluoric acid is a significant change in the bond lengths and values of the electronic characteristics is not observed; - In systems alkyls acetamide-HCl, H2SO4 lengths of C=O and C-N depend upon the nature of the inorganic acid and the change in the electronic characteristics during protonation independent of acid strength and due to the characteristics of their spatial and electronic structure and nature of the alkyl substituents in amino acetamide group.},
 year = {2016}
}

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TY  - JOUR
T1  - The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids
AU  - Аssyl Boshkayeva
AU  - Roza Omarova
AU  - Assel Kozhamzharovа
AU  - Aigul Uvaganova
AU  - Gulzira Aitzhanova
AU  - Bolat Zhanturiyev
AU  - Manas Omurzakov
AU  - Daniyar Abdambaev
Y1  - 2016/05/20
PY  - 2016
N1  - https://doi.org/10.11648/j.cmr.20160503.16
DO  - 10.11648/j.cmr.20160503.16
T2  - Clinical Medicine Research
JF  - Clinical Medicine Research
JO  - Clinical Medicine Research
SP  - 45
EP  - 51
PB  - Science Publishing Group
SN  - 2326-9057
UR  - https://doi.org/10.11648/j.cmr.20160503.16
AB  - Quantum-chemical study of molecular objects, such as organic amine systems protonated inorganic acids, it becomes important not only to establish the characteristics of the geometric and electronic structure of the starting amides and their complexes, but also allows you to set a semi-empirical model of the protonation process by identifying patterns of change in the basic parameters of the structure. Comparative analysis of the characteristics of spatial and electronic structure model systems-substituted-acetamide inorganic acids (HF, HCl, H2SO4) on the basis of quantum-chemical calculations by PM3 bond lengths, the charge characteristics of the ionization potential of the dipole moments and led to the following conclusions: - In systems-alkyl derivatives acetamide hydrofluoric acid is a significant change in the bond lengths and values of the electronic characteristics is not observed; - In systems alkyls acetamide-HCl, H2SO4 lengths of C=O and C-N depend upon the nature of the inorganic acid and the change in the electronic characteristics during protonation independent of acid strength and due to the characteristics of their spatial and electronic structure and nature of the alkyl substituents in amino acetamide group.
VL  - 5
IS  - 3
ER  -

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