Biography:

One of their most recent publications is ArticleStructural and energetic studies on double salts of M(II)Mg2Cl6·12H2O (M  Ca, Mn, Cd) by X-ray diffraction and density functional methods. Which was published in journal Inorganica Chimica Acta.

More information about Kenji Waizumi research including statistics on their citations can be found on their Copernicus Academic profile page.

Kenji Waizumi's Articles: (2)

ArticleStructural and energetic studies on double salts of M(II)Mg2Cl6·12H2O (M  Ca, Mn, Cd) by X-ray diffraction and density functional methods

AbstractThe crystal structure of the double salt complex MnMg2Cl6·12H2O has been determined by a single crystal X-ray diffraction method. The phase is trigonal, space group P31c, with unit cell dimensions a = 9.953(3) and c = 11.467(3) Å. The crystal structure consists of two kinds of well-separated octahedra, [Mg(H2O)6]2+ and [MnCl6]4−, which is isomorphous with the CdMg2Cl6·12H2O crystal. In order to examine the stability of the double salt crystals, full geometry optimizations have been carried out for several octahedral polyhedra of [M(H2O)6]2+ and [MCl6]4− (MMg2+, Ca2+, Mn2+, Cd2+) by the ab initio density functional method. Comparison of formation energies (ΔE) for [Mg(H2O)6]2+, [M(II)(H2O)6]2+, [MgCl6]4− and [M(II)Cl6]4− independently optimized {(ΔE([Mg(H2O)6]2+) + ΔE([M(II)Cl6]4−)) versus (ΔE([MgCl6]4−) + ΔE([M(II)(H2O6]2+)); M  Ca, Mn, Cd}, reveal that the former combination of polyhedra is significantly stable in comparison with the latter, indicating that the formation energies of the first coordination spheres play a decisive role in determining the constituent polyhedra of the double salt crystals.

Formation of [CoCl4(H2O)2]2− complex in CoCl2·MgCl2·8H2O double salt: structural and energetic properties of [MCl4(H2O)2]2− and [M(H2O)6]2+ (M=Mg, Co)

AbstractThe crystal structure of the double salt CoCl2·MgCl2·8H2O has been determined by the X-ray diffraction method. It crystallizes in the space group P1̄ with a=6.0976(9), b=6.308(1), c=8.579(3) Å, α=81.99(2)°, β=88.40°, γ=84.61(1)°, Z=1, and R=0.027. The crystal consists of two kinds of well separated octahedra, [CoCl4(H2O)2]2− and [Mg(H2O)6]2+. The former is unique as aquachloro complexes of Co2+. In order to elucidate the reason prepared as such unique complexes in the double salts, formation energies for [MCl4(H2O)2]2− and [M(H2O)6]2+ (M=Co, Mg) have been calculated by using the density functional methods, and it has been revealed that the formation energies of the first coordination sphere for the metal ions and the Cl−⋯H2O hydrogen bond networks around [CoCl4(H2O)2]2− play a decisive role in forming [CoCl4(H2O)2]2− with the regular octahedral geometry in the double salt.

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