Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Jul;67(3-4):1055-9. doi: 10.1016/j.saa.2006.08.045. Epub 2006 Sep 28.

Abstract

FT-Raman and FT-IR spectra of 2-cyanophenylisocyanid dichloride were recorded and analyzed. The vibrational frequencies of the title compound have been computed using the Hartree-Fock/6-31G* basis and compared with the experimental values. The prepared compound was identified by NMR and mass spectra.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chlorides / chemistry*
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Models, Chemical
  • Nitriles / chemistry*
  • Spectroscopy, Fourier Transform Infrared*
  • Spectrum Analysis, Raman*
  • Vibration

Substances

  • Chlorides
  • Nitriles
  • phenylisocyanide