A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds

Vlad Cristian Gavrilă; Teodor Octavian Nicolescu

doi:doi:10.11648/j.ajpc.20241304.11

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A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds

Vlad Cristian Gavrilă^*

, Teodor Octavian Nicolescu

Published in American Journal of Physical Chemistry (Volume 13, Issue 4)

Received: 28 October 2024 Accepted: 11 November 2024 Published: 28 November 2024

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Abstract

Theoretical frameworks are important structures that provide novel ways of understanding unique and complex ideas related to many fields of science. Therefore, in this manuscript we try to present a theoretical framework with new general equations that share a similar structure with the index of hydrogen deficiency and can be used to calculate the number of covalent bonds for numerous unsaturated organic molecules. Our mathematical model is based on graph theory combined with classical organic chemistry concepts, and the variables that made up all the general equations are represented by the number of atoms and the valence of those atoms that correspond to unsaturated organic compounds which contain only simple covalent bonds. The main scope of this model is to be used manually by scientists that are interested in performing an easy and fast calculation of bonds and rings for various classes of molecules in order to deduce more information about their possible chemical structures. Other objectives include the possibility for future implementation of computer programs based on IHD like equations similar with the ones that will be presented in this manuscript to help researchers speed up the process of identification and calculation of multiple chemical variables. In essence, our study represents a novel comprehensive methodology for finding the number of covalent bonds and rings in specific chemical compounds.

Published in	American Journal of Physical Chemistry (Volume 13, Issue 4)
DOI	10.11648/j.ajpc.20241304.11
Page(s)	72-82
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), 2024. Published by Science Publishing Group

Keywords

Covalent Bonds, Theoretical Framework, Organic Compounds, Graph Theory, Equalities, Index of Hydrogen Deficiency

References

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APA Style

Gavrilă, V. C., Nicolescu, T. O. (2024). A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds. American Journal of Physical Chemistry, 13(4), 72-82. https://doi.org/10.11648/j.ajpc.20241304.11

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ACS Style

Gavrilă, V. C.; Nicolescu, T. O. A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds. Am. J. Phys. Chem. 2024, 13(4), 72-82. doi: 10.11648/j.ajpc.20241304.11

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AMA Style

Gavrilă VC, Nicolescu TO. A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds. Am J Phys Chem. 2024;13(4):72-82. doi: 10.11648/j.ajpc.20241304.11

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@article{10.11648/j.ajpc.20241304.11,
  author = {Vlad Cristian Gavrilă and Teodor Octavian Nicolescu},
  title = {A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds
},
  journal = {American Journal of Physical Chemistry},
  volume = {13},
  number = {4},
  pages = {72-82},
  doi = {10.11648/j.ajpc.20241304.11},
  url = {https://doi.org/10.11648/j.ajpc.20241304.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajpc.20241304.11},
  abstract = {Theoretical frameworks are important structures that provide novel ways of understanding unique and complex ideas related to many fields of science. Therefore, in this manuscript we try to present a theoretical framework with new general equations that share a similar structure with the index of hydrogen deficiency and can be used to calculate the number of covalent bonds for numerous unsaturated organic molecules. Our mathematical model is based on graph theory combined with classical organic chemistry concepts, and the variables that made up all the general equations are represented by the number of atoms and the valence of those atoms that correspond to unsaturated organic compounds which contain only simple covalent bonds. The main scope of this model is to be used manually by scientists that are interested in performing an easy and fast calculation of bonds and rings for various classes of molecules in order to deduce more information about their possible chemical structures. Other objectives include the possibility for future implementation of computer programs based on IHD like equations similar with the ones that will be presented in this manuscript to help researchers speed up the process of identification and calculation of multiple chemical variables. In essence, our study represents a novel comprehensive methodology for finding the number of covalent bonds and rings in specific chemical compounds.
},
 year = {2024}
}

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TY  - JOUR
T1  - A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds

AU  - Vlad Cristian Gavrilă
AU  - Teodor Octavian Nicolescu
Y1  - 2024/11/28
PY  - 2024
N1  - https://doi.org/10.11648/j.ajpc.20241304.11
DO  - 10.11648/j.ajpc.20241304.11
T2  - American Journal of Physical Chemistry
JF  - American Journal of Physical Chemistry
JO  - American Journal of Physical Chemistry
SP  - 72
EP  - 82
PB  - Science Publishing Group
SN  - 2327-2449
UR  - https://doi.org/10.11648/j.ajpc.20241304.11
AB  - Theoretical frameworks are important structures that provide novel ways of understanding unique and complex ideas related to many fields of science. Therefore, in this manuscript we try to present a theoretical framework with new general equations that share a similar structure with the index of hydrogen deficiency and can be used to calculate the number of covalent bonds for numerous unsaturated organic molecules. Our mathematical model is based on graph theory combined with classical organic chemistry concepts, and the variables that made up all the general equations are represented by the number of atoms and the valence of those atoms that correspond to unsaturated organic compounds which contain only simple covalent bonds. The main scope of this model is to be used manually by scientists that are interested in performing an easy and fast calculation of bonds and rings for various classes of molecules in order to deduce more information about their possible chemical structures. Other objectives include the possibility for future implementation of computer programs based on IHD like equations similar with the ones that will be presented in this manuscript to help researchers speed up the process of identification and calculation of multiple chemical variables. In essence, our study represents a novel comprehensive methodology for finding the number of covalent bonds and rings in specific chemical compounds.

VL  - 13
IS  - 4
ER  -

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Author Information

Vlad Cristian Gavrilă

Department of Organic Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy “Carol Davila”, Bucharest, Romania

Contact Email

http://orcid.org/0009-0000-0629-1791
Teodor Octavian Nicolescu

Department of Organic Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy “Carol Davila”, Bucharest, Romania

Contact Email

http://orcid.org/0000-0001-5399-1758

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Plain Text BibTeX RIS

APA Style

Gavrilă, V. C., Nicolescu, T. O. (2024). A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds. American Journal of Physical Chemistry, 13(4), 72-82. https://doi.org/10.11648/j.ajpc.20241304.11

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ACS Style

Gavrilă, V. C.; Nicolescu, T. O. A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds. Am. J. Phys. Chem. 2024, 13(4), 72-82. doi: 10.11648/j.ajpc.20241304.11

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AMA Style

Gavrilă VC, Nicolescu TO. A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds. Am J Phys Chem. 2024;13(4):72-82. doi: 10.11648/j.ajpc.20241304.11

Copy | Download

@article{10.11648/j.ajpc.20241304.11,
  author = {Vlad Cristian Gavrilă and Teodor Octavian Nicolescu},
  title = {A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds
},
  journal = {American Journal of Physical Chemistry},
  volume = {13},
  number = {4},
  pages = {72-82},
  doi = {10.11648/j.ajpc.20241304.11},
  url = {https://doi.org/10.11648/j.ajpc.20241304.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajpc.20241304.11},
  abstract = {Theoretical frameworks are important structures that provide novel ways of understanding unique and complex ideas related to many fields of science. Therefore, in this manuscript we try to present a theoretical framework with new general equations that share a similar structure with the index of hydrogen deficiency and can be used to calculate the number of covalent bonds for numerous unsaturated organic molecules. Our mathematical model is based on graph theory combined with classical organic chemistry concepts, and the variables that made up all the general equations are represented by the number of atoms and the valence of those atoms that correspond to unsaturated organic compounds which contain only simple covalent bonds. The main scope of this model is to be used manually by scientists that are interested in performing an easy and fast calculation of bonds and rings for various classes of molecules in order to deduce more information about their possible chemical structures. Other objectives include the possibility for future implementation of computer programs based on IHD like equations similar with the ones that will be presented in this manuscript to help researchers speed up the process of identification and calculation of multiple chemical variables. In essence, our study represents a novel comprehensive methodology for finding the number of covalent bonds and rings in specific chemical compounds.
},
 year = {2024}
}

Copy | Download

TY  - JOUR
T1  - A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds

AU  - Vlad Cristian Gavrilă
AU  - Teodor Octavian Nicolescu
Y1  - 2024/11/28
PY  - 2024
N1  - https://doi.org/10.11648/j.ajpc.20241304.11
DO  - 10.11648/j.ajpc.20241304.11
T2  - American Journal of Physical Chemistry
JF  - American Journal of Physical Chemistry
JO  - American Journal of Physical Chemistry
SP  - 72
EP  - 82
PB  - Science Publishing Group
SN  - 2327-2449
UR  - https://doi.org/10.11648/j.ajpc.20241304.11
AB  - Theoretical frameworks are important structures that provide novel ways of understanding unique and complex ideas related to many fields of science. Therefore, in this manuscript we try to present a theoretical framework with new general equations that share a similar structure with the index of hydrogen deficiency and can be used to calculate the number of covalent bonds for numerous unsaturated organic molecules. Our mathematical model is based on graph theory combined with classical organic chemistry concepts, and the variables that made up all the general equations are represented by the number of atoms and the valence of those atoms that correspond to unsaturated organic compounds which contain only simple covalent bonds. The main scope of this model is to be used manually by scientists that are interested in performing an easy and fast calculation of bonds and rings for various classes of molecules in order to deduce more information about their possible chemical structures. Other objectives include the possibility for future implementation of computer programs based on IHD like equations similar with the ones that will be presented in this manuscript to help researchers speed up the process of identification and calculation of multiple chemical variables. In essence, our study represents a novel comprehensive methodology for finding the number of covalent bonds and rings in specific chemical compounds.

VL  - 13
IS  - 4
ER  -

Copy | Download