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      Three-Dimensional Structural Modelling and Characterization of Sodalite Material Network concerning the Irregularity Topological Indices

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          Abstract

          Topological characterization of 3D molecular structures is an emerging study area in theoretical and computational chemistry. These structural descriptors are used in a variety of domains, including chemical graph theory, drug delivery, and nanomaterial characterization. Quantitative structural descriptors can be used to characterize the chemical and physical properties of a given compound. Topological indices of molecular graphs are numerical quantities that allow us to collect information about the chemical structure and reveal its hidden qualities without performing experiments. Due to the low cost of implementation, zeolite networks are considered popular chemical networks. Zeolites are widely used networks with applications in chemistry, medicine, and commercial production owing to their excellent chemical features. The sodalite network is composed of a very unique type of zeolite framework called sodalite. It is a three-dimensional network of interconnected cages and tunnels that provide an ideal environment for a wide range of chemical and physical processes. This paper deals with the sodalite material network’s degree-based and reverse degree-based irregularity indices. These indices provide a quantitative measure of the irregular behaviour of the sodalite material network. It can be used to identify areas of the network where irregular behaviour is occurring and to compare different networks to determine which is more irregular. Additionally, these indices can be used to monitor changes in irregularity over time, allowing us to measure the impact of any interventions that are implemented.

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          Applications of Zeolites in Sustainable Chemistry

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            Degree-Based Topological Indices

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              Opening ZIF-8: a catalytically active zeolitic imidazolate framework of sodalite topology with unsubstituted linkers.

              A zeolitic imidazolate framework material of SOD topology possessing primarily unsubstituted imidazolate (im) linkers has been synthesized via solvent-assisted linker exchange (SALE) of ZIF-8. The structure of the new material, SALEM-2, has been confirmed through (1)H NMR and powder and single-crystal X-ray diffraction. SALEM-2 is the first example of a porous Zn(im)(2) ZIF possessing a truly zeolitic topology that can be obtained in bulk quantities. Upon treatment with n-butyllithium, the open analogue exhibits Brønsted base catalysis that cannot be accomplished by the parent material ZIF-8. Additionally, it displays a different size cutoff for uptake and release of molecular guests than does ZIF-8.
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                Author and article information

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                Journal
                Journal of Mathematics
                Journal of Mathematics
                Hindawi Limited
                2314-4785
                2314-4629
                May 24 2023
                May 24 2023
                : 2023
                : 1-9
                Affiliations
                [1 ]Department of Mathematics, University of Sialkot, Sialkot 51310, Pakistan
                [2 ]Department of Mathematical Sciences, Karakoram International University Gilgit, Gilgit 15100, Pakistan
                [3 ]Department of Mathematics, University of Management and Technology, Lahore, Sialkot Campus, Pakistan
                [4 ]Department of Mathematics, Faculty of Mathematical and Computer Science, University of Gezira, Wad Madani, Sudan
                Article
                10.1155/2023/5441426
                e6f33175-310b-45b9-949d-21fb73a8af9c
                © 2023

                https://creativecommons.org/licenses/by/4.0/

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