Green synthesis of functionalized sodalite ZIFs through mechanochemistry and their performance in CO$_2$ capture

Škrjanc, Aljaž (author), Golobič, Amalija (author), Mazaj, Matjaž (author), Huš, Matej (author), Likozar, Blaž (author), Zabukovec Logar, Nataša (author)

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.

• Language: English
• Keywords: mechanochemistry, Zeolitic imidazolate frameworks, water adsorption, CO$_2$ adsorption, liquid assisted grinding
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Publication status: Published
• Publication version: Version of Record
• Year: 2025
• Number of pages: 11 str.
• Numbering: Vol. 384, art. 113453
• PID: 20.500.12556/RUL-166613
• UDC: 66
• ISSN on article: 1873-3093
• DOI: 10.1016/j.micromeso.2024.113453
• COBISS.SI-ID: 222664707
• Publication date in RUL: 20.01.2025

Record is a part of a journal

• Title: Microporous and mesoporous materials
• Publisher: Elsevier
• ISSN: 1873-3093
• COBISS.SI-ID: 22924293

Licences

• License: CC BY-NC 4.0, Creative Commons Attribution-NonCommercial 4.0 International
• Link: http://creativecommons.org/licenses/by-nc/4.0/
• Description: A creative commons license that bans commercial use, but the users don’t have to license their derivative works on the same terms.

Secondary language

• Language: Slovenian
• Keywords: kemijska tehnologija, zeoliti, ZIF, sinteza, ligandi