abstract
Metal-organic frameworks (MOFs) are compounds that feature metal clusters coordinated with organic ligands, forming impressive structures and properties. In this study, two MOFs of Zn(II) and Cd(II) were synthesized using the organic compound 5-hydroxy-2-pyrazinecarboxylic acid, forming Zn-MOF and Cd-MOF. To better understand the intricate structures of these MOFs, single-crystal X-ray crystallography was used to characterize their respective structures. The results showed that both MOFs have complex three-dimensional supramolecular structures that are highly symmetric and contain water molecules. Additionally, topological analysis of the MOFs indicated that they have a zeolite-like structure. The Hirshfeld surfaces analysis revealed that both crystal structures could preferentially interact with other molecules through hydrogen bonds. The MOFs were found to have a direct band gap, with the energy observed to be 2.44 and 2.71 eV for the Zn-MOF and Cd-MOF systems, respectively. The hydrogen bond formation ability of the MOFs, in combination with their low band gap energy, make them highly suitable for use in the Knoevenagel condensation reaction in water. Overall, the results of this study provide important insights into the unique properties and potential applications of MOFs in diverse fields.
keywords
CRYSTAL-STRUCTURES; COMPOSITES; CHEMISTRY
subject category
Chemistry
authors
Patra, BN; Das, AK; Misra, S; Brandao, P; Afzal, M; Alarifi, A; Saha, T; Bera, D; Haldar, S; Mal, D; Sepay, N
our authors
Paula Cristina Ferreira da Silva Brandão
Assistant Researcheracknowledgements
DM gratefully acknowledges the Department of Science & Technology and Biotechnology, Government of West Bengal, for a financial grant (Grant No. 28(sanc)-ST/P/S & T/15G-4/2018). The authors gratefully acknowledge Prof. Sven Lidin for allowing the authors to single crystal X-ray data collection. Financial support from UGC by a grant (PSW-035/14-15 (ERO)) is gratefully acknowledged by SH. Dr. Mohd. Afzal extends his appreciation to Researchers Supporting Project number (RSPD2023R979), King Saud University, for financial assistance. NS gratefully acknowledges the Department of Chemistry, Lady Brabourne College, for its research facilities.