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Vol. 33 No. 11 (2021): Vol 33 Issue 11, 2021

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Spectral and Structural Characterization of Metformin with Different Counter Anions: Comparative Analysis and DFT Calculations

https://doi.org/10.14233/ajchem.2021.23422
Mohammed Alsawat
Department of Chemistry, Faculty of Science, Taif University, Taif, P. O. Box 11099, Taif 21944, Saudi Arabia
Hamdy S. El-Sheshtawy
Department of Chemistry, Faculty of Science, Kafrelsheikh University, Kafr El-Sheikh, Egypt
Tariq Altalhi
Department of Chemistry, Faculty of Science, Taif University, Taif, P. O. Box 11099, Taif 21944, Saudi Arabia
Amine Mezni
Department of Chemistry, Faculty of Science, Taif University, Taif, P. O. Box 11099, Taif 21944, Saudi Arabia
Tushar Kumeria
School of Materials Science and Engineering, The University of New South Wales, Sydney, New South Wales, 2052, Australia
Salih S. Al-Juaid
Department of Chemistry, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia
Mohamed M. Ibrahim
Department of Chemistry, Faculty of Science, Taif University, Taif, P. O. Box 11099, Taif 21944, Saudi Arabia

Corresponding Author(s) : Mohamed M. Ibrahim

ibrahim@tu.edu.sa

Asian Journal of Chemistry, Vol. 33 No. 11 (2021): Vol 33 Issue 11, 2021

Abstract

The metformin perchlorate (MetH+·ClO4−) with a new crystal structure was synthesized, characterized and comparatively studied with other metformin salts of Cl− and NO3− by different spectroscopic techniques such as TGA-DSC and FT-IR as well as UV-visible spectroscopic studies. DFT calculations were performed by rwb97xd and 6-31G+(d,p) basis set for structure optimization and frequency calculations. Similar to MetH+·Cl−, the crystal packing of MetH+·ClO4− and MetH+·NO3− were stabilized by hexagonal hydrogen bond elongated network. The relative stability and reactivity of these salts were determined by exploring the DFT chemical descriptors such as chemical hardness, electronegativity, electronic chemical potential, electrophilicity and hardness. These calculations were employed to get the subset of variables that could categorize the metformin salts according to their reactivity.

Keywords

Metformin Spectroscopic studies Reactivity descriptors Density functional theory
Alsawat, M., S. El-Sheshtawy, H., Altalhi, T., Mezni, A., Kumeria, T., S. Al-Juaid, S., & M. Ibrahim, M. (2021). Spectral and Structural Characterization of Metformin with Different Counter Anions: Comparative Analysis and DFT Calculations. Asian Journal of Chemistry, 33(11), 2817–2825. https://doi.org/10.14233/ajchem.2021.23422
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