Dielectric Relaxation of the Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate: Microwave and Far-IR Properties.

Nilesh R DhumalJohannes KieferDavid TurtonKlaas Wynne Hyung J Kim

Published in: The journal of physical chemistry. B (2017)

Dielectric relaxation of the ionic liquid, 1-ethyl-3-methylimidazolium ethyl sulfate (EMI+ETS-), is studied using molecular dynamics (MD) simulations. The collective dynamics of polarization arising from cations and anions are examined. Characteristics of the rovibrational and translational components of polarization dynamics are analyzed to understand their respective roles in the microwave and terahertz regions of dielectric relaxation. The MD results are compared with the experimental low-frequency spectrum of EMI+ETS-, obtained via ultrafast optical Kerr effect (OKE) measurements.

Keyphrases

ionic liquid
molecular dynamics
density functional theory
room temperature
transcription factor
single molecule
radiofrequency ablation
high resolution
high speed
solid state