1-Ammonio-1-phosphonopentane-1-phosphonic acid

1-Ammonio-1-phosphono­pentane-1-phospho­nic acid

The title compound, C(5)H(15)NO(6)P(2), was obtained by the reaction of penta-nenitrile with PCl(3) followed by the dropwise addition of water. The asymmetric unit contains one mol-ecule, which exists as a zwitterion with a positive charge on the -NH(3) group and a negative charge on one of the phospho-nic O atoms. The crystal structure displays N-H⋯O and O-H⋯O hydrogen bonding, which creates a...

Tetra­aqua­bis[(1-ammonio-1-phosphono­ethyl)phospho­nato]zinc(II) tetra­hydrate

The title compound, [Zn(C(2)H(8)NO(6)P(2))(2)(H(2)O)(4)]·4H(2)O, was synthesized by the reaction of ZnCl(2) with 1-amino-ethane-1,1-diyldiphospho-nic acid in aqueous solution. The asymmetric unit contains one-half of the complex and two water mol-ecules of solvation. The Zn atom occupies a special position on an inversion centre. This results in a slightly distorted octa-hedral coordination env...

A second triclinic polymorph of (1-ammonio-1-phosphono­eth­yl)phospho­nate

The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one mol-ecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phospho-nic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides the differences in cell parameters, the most significant structural difference between this stru...

Rationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies

The relative stability of hydrogen-bonded of Molybdate-Phosphonic Acid (MPA) complex (1:2) ingas phase has been carried out using Density Functional Theory (DFT) methods. The methods are usedfor calculations are B3LYP, BP86 and B3PW91 that have been studied in two series of basis sets: D95**and 6-31+G(d,p) for hydrogen and oxygen atoms; LANL2DZ for Mo and Phosphorus. Predictedhydrogen-bond geom...

Persian-translation Vol.1, No.1