司会者のことば

Local structure of Li+ in concentrated LiPF6–dimethyl carbonate solutions

“…The nearest neighbor Li +… O (DMC) distance is determined to be 2.08 ± 0.02 Å, which is ca. 0.1 Å longer than values 1.95 ~ 1.97 Å found in various aqueous [9][10][11][12][13] and methanolic solutions [14] of Li-salts. The present value of r LiO is very close to those observed for concentrated polyethylene oxide solutions with LiN(SO 2 CF 3 ) 2 (2.10 ± 0.04 Å) [32], LiClO 4 (2.07 ± 0.04 Å) [33] and LiI (2.1 Å) [34] salts in which Li + interacts with ether oxygen atoms of polyethylene oxide.…”

“…In order to determine the solvation number of Li + in the solution, neutron diffraction with 6 Li/ 7 Li isotopic substitution method is one of the most effective experimental techniques to obtain direct information on the solvation structure of Li + . The 6 Li/ 7 Li isotopic substitution method was first applied for investigation of the hydration shell of Li + in aqueous solutions [9][10][11][12][13]. This method was then adopted for non-aqueous systems.…”

Ab initio investigation on the ion‐associated species and process in Mg(NO3)2 solution

“…20,21 On the other hand, Caminiti et al investigated the hydrated structure of ions in NaNO 3 solution of 5-7 mol dm 23 by using the X-Ray diffraction technique. 22 Their results show the number of water molecules in the first hydrated shell of NO À 3 is 3-6 in the solution while the neutron scattering studies gives 5, accurately by Kameda et al 23 Although the hydration number of NO À 3 can be obtained by the experimental means, the structures and energies of NO À 3 with different degree of hydration in those works can hardly be measured. However, with help of calculation in theoretical chemistry those questions can be solved easily.…”