Theoretical study on the alkyl chain length impact of azobenzene-based photoresponsive ionic liquids.

ABSTRACT: The light-modulated isomerization and aggregation behavior of ionic liquids (ILs) in aqueous solutions holds fundamental and technological significance. Although several azobenzene-based photoresponsive ILs have been synthesized, there is still a lack of understanding regarding the aggregation mechanism, regularity of the alkyl chain length, and the position of the azobenzene (cis- and trans-) in these photoresponsive ILs. To elucidate the structure-property relationship of photoresponsive ILs, four types of azobenzene groups photosensitive ILs ([AzoC_nDMEA]Br, n = 2,4,6,10) in both trans- and cis- configurations were investigated by density functional theory (DFT) calculations. We investigated the geometric properties of cations, H-bonds interactions of ionic pairs, microstructu

SUBMITTER: Ying L 

PROVIDER: S-EPMC11895348 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature