2001 Volume 13 Issue 2 Pages 97-104
Infrared spectra of phenol and its chloro-substituted derivatives in low-temperature argon matrices were measured with an FTIR spectrophotometer. The observed spectra were analyzed with an aid of density functional theory where the B3LYP/6-31G* calculation level was used. A comparison between observed and calculated vibrational wavenumbers showed that the consistency depends on number and position of chlorine atoms.