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Vol 15, 2026
Pages: 89 - 89
Abstract
Natural Sciences Editor: Darjana Sredić
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Received: 02.05.2026. >> Accepted: 02.05.2026. >> Published: 29.05.2026. Abstract Natural Sciences Editor: Darjana Sredić

ANION-DRIVEN DESIGN OF IMIDAZOLIUM-BASED IONIC LIQUIDS: INTEGRATING PHYSICOCHEMICAL PROFILING, IONICITY ANALYSIS, DFT/ADMET MODELING AND ANTIMICROBIAL PERFORMANCE

By
Sara Klimenta ,
Sara Klimenta

Faculty of Sciences, University of Novi Sad Serbia

Andrija Vukov ,
Andrija Vukov

Faculty of Sciences, University of Novi Sad Serbia

Teona Teodora Borović ,
Teona Teodora Borović

Faculty of Sciences, University of Novi Sad Serbia

Jovana Selak ,
Jovana Selak

Faculty of Sceinces, University of Novi Sad Serbia

Snežana Papović ,
Snežana Papović

Departman za hemiju, biohemiju i zaštitu životne sredine, Faculty of Science and Mathematics, University of Novi Sad , Novi Sad , Serbia

Milan Vraneš
Milan Vraneš
Contact Milan Vraneš

Faculty of Sciences, University of Novi Sad Serbia

Abstract

Ionic liquids represent a highly tunable class of compounds whose physicochemical and biological properties can be modified through rational selection of cations and anions. In this study, three imidazolium-based ionic liquids containing oxychlorine anions were synthesized and characterized: 1-butyl-3-methylimidazolium chlorite, chlorate and perchlorate. The main objective was to evaluate how progressive anion oxygenation affects density, viscosity, conductivity, ionicity and antimicrobial activity.

The synthesized ionic liquids were characterized by NMR and IR spectroscopy, while density, viscosity and electrical conductivity were measured from 293.15 to 323.15 K. Density decreased linearly with temperature, whereas viscosity decreased with increasing temperature. The perchlorate-based ionic liquid showed the highest density and viscosity, suggesting stronger structural organization and reduced expansivity. Conductivity measurements revealed the highest molar conductivity for the chlorate-based ionic liquid, indicating an optimal balance between ionicity and viscous resistance. Walden analysis showed that chlorate and perchlorate ionic liquids behaved close to the ideal KCl reference line, with ionicity values above 90%, while the chlorite-based ionic liquid exhibited lower ionicity and stronger ion association.

DFT calculations supported the experimental trends by revealing specific C–H···O interactions and differences in anion charge distribution. Antimicrobial activity was tested against Escherichia coli, Staphylococcus aureus, Bacillus cereus and Candida guilliermondii. The chlorite-based ionic liquid exhibited the strongest antimicrobial activity, likely due to enhanced formation of contact ion pairs or small aggregates that facilitate interactions with microbial cell envelopes.

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