title: Charge density distribution in aminomethylphosphonic acid.
abstract: The experimental charge density distribution in aminomethylphosphonic acid has been determined from X-ray diffraction and its topological features have been analyzed. The results have shown that the P-O bonds are highly polarized, moreover the P-OH bond is weaker than the bonds to unprotonated O atoms. These facts have been confirmed by theoretical density functional theory (DFT) calculations, which have shown that the single, strongly polarized bonds within the phosphonate group are modified by hyperconjugation effects.
authors.affiliation: Wydział Chemii, Uniwersytet Wrocławski, ul. F. Joliot-Curie 14, 50-383 Wrocław, Poland.
authors.forename: Rafał
authors.initials: R
authors.lastname: Janicki
authors.forename: Przemysław
authors.initials: P
authors.lastname: Starynowicz
mesh_terms: D004583:Electrons; D007555:Isoxazoles; D063065:Organophosphonates / Q000737:chemistry*; D010758:Phosphorus / Q000737:chemistry; D013777:Tetrazoles; D014961:X-Ray Diffraction
chemical_list: D007555:Isoxazoles; D063065:Organophosphonates; D013777:Tetrazoles; D010758:Phosphorus; C418233:2-amino-3-(3-hydrox-5(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl)propionic acid