X-ray Raman scattering provides evidence for interfacial acetonitrile-water dipole interactions in aqueous solutions

J Chem Phys. 2011 Oct 28;135(16):164509. doi: 10.1063/1.3655468.

Abstract

Aqueous solutions of acetonitrile (MeCN) have been studied with oxygen K-edge x-ray Raman scattering (XRS) which is found to be sensitive to the interaction between water and MeCN. The changes in the XRS spectra can be attributed to water directly interacting with MeCN and are reproduced by density functional theory calculations on small clusters of water and MeCN. The dominant structural arrangement features dipole interaction instead of H-bonds between the two species as revealed by the XRS spectra combined with spectrum calculations. Small-angle x-ray scattering shows the largest heterogeneity for a MeCN to water ratio of 0.4 in agreement with earlier small-angle neutron scattering data.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Acetonitriles / chemistry*
  • Hydrogen Bonding
  • Scattering, Small Angle
  • Spectrum Analysis, Raman* / methods
  • Water / chemistry*
  • X-Ray Diffraction
  • X-Rays

Substances

  • Acetonitriles
  • Water
  • acetonitrile