UV‐Assisted Fenton‐Like Oxidation of 1‐Butyl‐3‐Methylimidazolium Chloride: Degradation Behavior and DFT‐Based Reaction Pathway

Imidazolium ionic liquids (ILs) have gained significant attention in recent years due to their unique properties and potential applications. However, their degradation and toxicity have become a growing concern. This study investigated the UV‐light‐assisted photo‐Fenton‐like degradation of 1‐butyl‐3‐methylimidazolium chloride (IB) and explored the degradation pathway by computational approach using density functional theory (DFT). The efficient degradation of 79.16% was recorded in 120 min at 25°C ± 1°C temperature with first order rate constant k = 1.30 × 10 −2 min −1 . The DFT calculations revealed that the degradation pathway involves preferential hydroxyl radical attack on the butyl carbon atom, followed by the methyl carbon atom rather than the imidazolium ring carbon atoms. This study provides new insights into the degradation pathway of imidazolium ILs and highlights the potential of the photo‐Fenton‐like process for wastewater treatment.