Neutron Diffraction Study on the Structure of Aqueous LiNO3 Solutions

Abstract

Neutron diffraction measurements were carried out at 25 °C for aqueous LiNO3 heavy water solutions, (*LiNO3) x (D2O)1−x where x = 0.1, 0.05 and 0.01, in which the 6Li/7Li isotopic ratios were varied. Structural information on intermolecular nearest neighbor Li+···D2O interactions in the extensive concentration range was derived from the first-order difference function, ∆Li(Q), obtained from the difference in scattering cross sections between 6Li- and 7Li-enriched sample solutions. The nearest neighbor Li+···O distance and coordination number for sample solution with x = 0.1 were determined to be r LiO = 1.969 (8) A and n LiO = 4.12 (6), respectively, corresponding to the four-coordinated Li+ ion in the solution. On the other hand, those obtained for the solution with x = 0.01 are r LiO = 2.00 (2) A and n LiO = 6.0 (2), respectively, indicating that hexaaqua Li+ is dominant in the dilute solution. These results clearly indicate that a concentration dependence of the hydration number of Li+ occurs in the aqueous solutions.