Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study.

ABSTRACT: The translational dynamics of xenon gas dissolved in room-temperature ionic liquids (RTILs) is revealed by ¹²⁹Xe NMR and molecular dynamics (MD) simulations. The dynamic behavior of xenon gas loaded in 1-alkyl-3-methylimidazolium chloride, [C_nC₁im]Cl (n = 6, 8, 10), and hexafluorophosphate, [C_nC₁im][PF₆] (n = 4, 6, 8, 10) has been determined by measuring the ¹²⁹Xe diffusion coefficients and NMR relaxation times. The analysis of the experimental NMR data demonstrates that, in these representative classes of ionic liquids, xenon motion is influenced by the length of the cation alkyl chain and anion type. ¹²⁹Xe spin-lattice relaxation times are well described with a monoexponent

SUBMITTER: Castiglione F 

PROVIDER: S-EPMC8009510 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature