On the vibrations of formic acid predicted from first principles

Phys Chem Chem Phys. 2022 Nov 30;24(46):28109-28120. doi: 10.1039/d2cp04417j.

Abstract

In this article, we review recent first principles, anharmonic studies on the molecular vibrations of gaseous formic acid in its monomer form. Transitions identified as fundamentals for both cis- and trans form reported in these studies are collected and supported by results from high-resolution experiments. Attention is given to the effect of coordinate coupling on the convergence of the computed vibrational states.

Publication types

  • Review

MeSH terms

  • Formates*
  • Gases
  • Vibration*

Substances

  • formic acid
  • Formates
  • Gases