Affiliations: Department of Chemistry, Białystok Technical University, Białystok, Poland
Note: [] Corresponding author: W. Lewandowski, Department of Chemistry, Białystok Technical University, Zamenhofa 29, 15-435 Białystok, Poland. Tel.: +48 85 469790; Fax: +48 85 7469782; E-mail: w-lewando@wp.pl.
Abstract: FT-IR (in solid state and solution), FT-Raman, UV and 1H, 13C NMR spectra of p-methoxybenzoic (p-anisic) acid and lithium, sodium, potassium, rubidium and caesium p-methoxybenzoates (p-anisates) were registered, assigned and analyzed. The structures of anisic acid and Li, Na and K p-anisates were optimised at the B3LYP/6-311++G** level. The IR spectra and NPA, ChelpG and MK atomic charges were calculated. The effect of metal ions on the electronic charge distribution in ligand was discussed.
