The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids
Clinical Medicine Research
Volume 5, Issue 3, May 2016, Pages: 45-51
Received: Feb. 20, 2016; Accepted: Mar. 10, 2016; Published: May 20, 2016
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Authors
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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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.
Keywords
Quantum-Chemical Method, The Geometric Structure, Electronic Structure, Electronic Redistribution, Alkylamides, Inorganic Acids
To cite this article
Аssyl Boshkayeva, Roza Omarova, Assel Kozhamzharovа, Aigul Uvaganova, Gulzira Aitzhanova, Bolat Zhanturiyev, Manas Omurzakov, Daniyar Abdambaev, The Establishment of Peculiarities of Spatial and Electronic Structure of Systems N-Alkyl-Substituted-Acetamides-Inorganic Acids, Clinical Medicine Research. Vol. 5, No. 3, 2016, pp. 45-51. doi: 10.11648/j.cmr.20160503.16
Copyright
Copyright © 2016 Authors retain the copyright of this article.
This article is an open access article distributed under the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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