20.500.12556/RUL-166613 Green synthesis of functionalized sodalite ZIFs through mechanochemistry and their performance in CO$_2$ capture Mechanochemical synthesis of Zeolitic imidazolate frameworks (ZIFs) has emerged as a compelling and environmetally conscious alternative to conventional solvothermal methods, especially when they rely on the use of toxic formamide-based solvents and excess of metal precursors or linkers. In this study, a facile liquid assisted grinding synthesis achieving high product yields with short synthesis times, have been introduced for a series of ZIFs with SOD topology featuring both single and mixed ligands with diverse functional groups. The phase pure and crystalline products with even particle size distribution and retained sorption performance confirmed the efficiency of mechanochemical synthesis as sustainable and viable approach for the optimisation and the design of a new ZIF archetypes. Deeper insights into the structural and CO$_2$ sorption capabilities was gained by a comparative quantum chemical calculations between a benchmark ZIF-8 and a newly synthesized isostructural analogue NICS-23, featuring an ester-functionalized imidazole ligand. The analysis revealed distinctive sorption characteristics of NICS-23, showcasing also its potential for gas separation processes with wet CO$_2$ involved. Findings highlight the advantages of mechanochemical synthesis in ZIF production as a facile green synthesis method over the longer solvothermal procedure, potentially allowing also for faster screening of functional materials. mechanochemistry Zeolitic imidazolate frameworks water adsorption CO$_2$ adsorption liquid assisted grinding kemijska tehnologija zeoliti ZIF sinteza ligandi true false true Angleški jezik Slovenski jezik Članek v reviji 2025-01-19 05:07:48 2025-01-20 09:01:17 2025-01-21 03:59:12 0000-00-00 00:00:00 2025 0 0 11 str. art. 113453 Vol. 384 15 Feb. 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 66 1873-3093 10.1016/j.micromeso.2024.113453 222664707 1-s2.0-S138718112400475X-main.pdf 1-s2.0-S138718112400475X-main.pdf 1 3815840F7E46AFF3DB54A5CBAD4BD204 854f2f126b7f6f5d491d9d9fa35b1d91fdf7764f63539a402ed1528670d30e72 22ac7d5a-d704-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=198378 https://www.sciencedirect.com/science/article/pii/S138718112400475X 1 2f253d05-d61a-11ef-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=198353 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0