title: Molecular structure of 3-aminobenzoic acid complexes with alkali metals.
abstract: The vibration (FT-IR, FT-Raman), electronic (UV-Vis) and NMR (1H and 13C) spectra for 3-aminobenzoic acid and its alkali metal salts were recorded. The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of the 3-aminobenzoic acid was studied. The assignment of the vibration spectra was done. Characteristic shifts of band wavenumbers and changes in band intensities along the metal series were observed. Good correlation between the wavenumbers of the vibrational bands in the IR and Raman spectra for 3-aminobenzoates and ionic potential, electronegativity, atomic mass and affinity of metal cations were found. The chemical shifts of protons (1H NMR) and carbons (13C NMR) in the series of studied alkali metals were also observed. Optimized geometrical structures of studied compounds were calculated by ab initio and density functional methods.
authors.affiliation: Department of Chemistry, Białystok Technical University, Zamenhofa 29, 15-435 Białystok, Poland.
authors.forename: R
authors.initials: R
authors.lastname: Swisłocka
authors.forename: E
authors.initials: E
authors.lastname: Regulska
authors.forename: M
authors.initials: M
authors.lastname: Samsonowicz
authors.forename: T
authors.initials: T
authors.lastname: Hrynaszkiewicz
authors.forename: W
authors.initials: W
authors.lastname: Lewandowski
mesh_terms: D062365:Aminobenzoates / Q000737:chemistry*; D008094:Lithium / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D062365:Aminobenzoates; D008094:Lithium