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Theoretical model for the prediction of lattice energy of diatomic metal halides

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Abstract

In this theoretical analysis, We examined the binding energy of certain pairs of metal and halogen atoms. We have used various mathematical models to predict how strongly these atoms stick together. For the theoretical study, we have used the Born-Mayer, Varshani-Shukla, and L5 potential models. We have compared these theoretical predictions with actual experimental measurements. We found that, as the force constant get stronger, the difference between the theoretical and experimental values becomes more noticeable. These factors relate to how the atoms rotate and vibrate together, which is a key area of study in molecular spectroscopy.

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Both the authorrs have collectively prepared the manuscript. Shivam srivastava have helped in revision of manuscript.

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Correspondence to Anjani K. Pandey.

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Pandey, A.K., Dixit, C.K. & Srivastava, S. Theoretical model for the prediction of lattice energy of diatomic metal halides. J Math Chem 62, 269–274 (2024). https://doi.org/10.1007/s10910-023-01538-9

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  • DOI: https://doi.org/10.1007/s10910-023-01538-9

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