Infrared spectra of benzoic acid monomers and dimers in argon matrix

✍ Scribed by S.G. Stepanian; I.D. Reva; E.D. Radchenko; G.G. Sheina

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 732 KB
• Volume: 11
• Category: Article
• ISSN: 0924-2031
• DOI: 10.1016/0924-2031(95)00068-2

✦ Synopsis

The infrared spectra of benzoic and deuterobenzoic acids isolated in Ar matrices were measured using the matrix-to-sample (M/S) ratios 750 and 250. The spectra were interpreted both by AMI semiempirical and variational methods. The calculation of the potential energy surface of benzoic acid monomer shows that only the syn conformer of benzoic acid must be present in the matrix, which is in complete agreement with experimental data obtained previously. Matrix annealing mainly favours the formation of cyclic symmetrical dimers with two intermolecular H-bonds. The frequency shifts of some vibrations of the COOH group on association are measured. More complex aggregates were revealed in the matrix isolation measurements.