Synthesis and Characterization of a New Cyclohexaphosphate, (C₁₀H₁₃NH₃)₄(H₃O)₂(P₆O₁₈).3(H₂O)

Abstract

Crystals of a new hybrid compound (C₁₀H₁₃NH₃)₄(H₃O)₂(P₆O₁₈).3(H₂O) were synthesized in aqueous solution and characterized by X-ray diffraction, thermal analysis, and IR absorption. This compound crystallizes in a P-1 triclinic system unit cell with a = 10.43(2) Å, b = 16.09(3) Å, c = 17.67(2) Å, α = 72.44(3), β = 88.64(2)°, γ = 85.11(3)°, V = 2818.0(8) ų, and Z = 2. Crystal structure has been solved using direct methods and refined by least squares analyses (R = 0.049 and Rw = 0.126). The atomic arrangement can be described by thick layers built by P₆O₁₈ ^{6 −} anions, H₃O⁺ cations and water molecules. The protonated amines are located between these inorganic layers, in order to balance the negative charge of the inorganic framework. The three-dimensional cohesion is assured by different interactions (electrostatic, H-bonds, Van Der Waals) established between the various molecular components.

Keywords:

• Crystal structure
• cyclohexaphosphate
• infrared spectroscopy
• ion oxonium
• X-ray diffraction

Notes

^aEstimated standard deviations are given in parentheses.

^aEstimated standard deviations are given in parentheses.