High pressure study of molecular dynamics of protic ionic liquid lidocaine hydrochloride

J Chem Phys. 2012 Jun 14;136(22):224501. doi: 10.1063/1.4727885.

Abstract

In this paper, we investigate the effect of pressure on the molecular dynamics of protic ionic liquid lidocaine hydrochloride, a commonly used pharmaceutical, by means of dielectric spectroscopy and pressure-temperature-volume methods. We observed that near T(g) the pressure dependence of conductivity relaxation times reveals a peculiar behavior, which can be treated as a manifestation of decoupling between ion migration and structural relaxation times. Moreover, we discuss the validity of thermodynamic scaling in lidocaine HCl. We also employed the temperature-volume Avramov model to determine the value of pressure coefficient of glass transition temperature, dT(g)/dP|(P = 0.1). Finally, we investigate the role of thermal and density fluctuations in controlling of molecular dynamics of the examined compound.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Ionic Liquids / chemistry*
  • Lidocaine / chemistry*
  • Molecular Dynamics Simulation*
  • Pressure*
  • Temperature

Substances

  • Ionic Liquids
  • Lidocaine