Fluoroalcohols—XXI. Infrared, matrix infrared and Raman spectra of 1,1,1-trifluoro-2-propanol and its three deuterated analogues

Abstract

The i.r. spectra of CF 3CHOHCH 3, CF 3CHODCH 3, CF 3CDOHCH 3 and CF 3CDODCH 3 have been recorded for gaseous, liquid and solid states, and in argon and nitrogen matrices (the spectrum of CF 3CHOHCH 3 in a krypton matrix as well). Raman spectra of the compounds in the liquid state were also recorded. Vibrational assignments are made, and discussed with particular reference to OH and OD groups. The influence of association on the vibration bands was studied in detail by the matrix isolation technique. Only one conformer was found for the alcohols in question. The monomeric νOH band is a singlet for spectra in argon and krypton matrices; for spectra in nitrogen matrices it is a doublet. Two monomeric OD bending bands were found for the OD deuterated alcohols between 800 and 1000 cm −1. CF 3CHOHCH 3 seems to have two polymeric δOH bands. The monomeric OH and OD torsion bands are very intense and narrow in argon matrices (τOH band at about 300 cm −1, τOD band at about 250 cm −1). In nitrogen matrices these are broader, less intense, and occur at considerably higher frequencies (τOH at about 380 cm −1). The OH torsion bands of a few other fluoroalcohols in argon were also studied. Some data are reported for trifluoroacetone in an argon matrix.