화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.11, 4740-4750, 2000
Microscopic structure of Cl- coordination shell in NiCl2 methanol solution: A neutron diffraction study
Neutron diffraction measurements were carried out on similar to 1.4 molal solutions of NiCl2 in methanol under ambient conditions. First- and second-order difference methods with isotopic substitution on nickel, chlorine and hydroxyl hydrogen (H-o) were applied to derive the Cl--dependent partial structure factors and radial distribution functions, RDFs. The nearest-neighbor Cl-(H/D)(o) distance and the solvation number of Cl- were determined to be 2.18(1) Angstrom and congruent to 2, respectively, as compared to 2.21(3) Angstrom and 3.6 in a 5.8 M solution of LiCl in methanol. The joint analysis of the pair RDFs, g(NiCl)(r) and g(ClCl)(r), reveals that the electrolyte in its 1.4 molal methanolic solution mainly exists in the form of solvated contact ion pairs, [NiCl](s)(+), with very small content of solvated [NiCl2](s)(o) ion-triples.