Density functional theory study on sum-frequency vibrational spectroscopy of arabinose chiral solutions

J Phys Chem A. 2009 Jan 8;113(1):157-64. doi: 10.1021/jp808228e.

Abstract

Using time-dependent density functional computations we calculate the doubly resonant IR-UV sum-frequency vibrational spectroscopy and sum-frequency vibrational spectroscopy off electronic resonance for D-arabinose solutions. In comparison with the experimental detection limit, the calculated doubly resonant IR-UV sum-frequency vibrational spectroscopy is strong enough to be detectable.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Arabinose / chemistry*
  • Isomerism
  • Quantum Theory*
  • Solutions / chemistry
  • Spectrophotometry
  • Vibration

Substances

  • Solutions
  • Arabinose