Magneto-structural correlation of hexakis-dmso cobalt(ii) complex†,Dalton Transactions

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Magneto-structural correlation of hexakis-dmso cobalt(ii) complex†
Dalton Transactions ( IF 3.5 ) Pub Date : 2017-10-31 00:00:00 , DOI: 10.1039/c7dt03269b
Hiroshi Sakiyama _{1,

2,

3,

4,

5} , Reiji Sudo _{1,

2,

3,

4,

5} , Takaaki Abiko _{1,

2,

3,

4,

5} , Daisuke Yoshioka _{5,

6,

7,

8,

9} , Ryoji Mitsuhashi _{5,

6,

7,

8,

9} , Masataka Omote _{5,

6,

7,

8,

9} , Masahiro Mikuriya _{5,

6,

7,

8,

9} , Megumi Yoshitake _{5,

10,

11,

12,

13} , Masayuki Koikawa _{5,

10,

11,

12,

13}

Affiliation

The magnetostructural correlation of the hexakis-dmso cobalt(II) complex, [Co(dmso)₆](BPh₄)₂ (dmso: dimethylsulfoxide), was investigated by single-crystal X-ray diffraction study and magnetic measurements. The magnetic analysis concluded the negative Δ value (H = Δ(L²_z − 2/3) + E(L²_x − L²_y) − (3/2)κλL·S + β[−(3/2)κL_u + g_eS_u]·H_u (u = x, y, z)), and this was explained by the tetragonal elongation of the octahedral geometry. The magnetostructural correlation was ascertained by both the angular overlap model calculation and the density functional theory calculation.

中文翻译：

六-dmso钴（ii）配合物的磁结构相关性†

通过单晶X射线衍射研究和磁测量研究了六-dmso钴（II）配合物[Co（dmso）₆ ]（BPh ₄）₂（dmso：二甲基亚砜）的磁结构相关性。磁性分析结束了负Δ值（ħ = Δ（大号²_ž - 2/3）+ È（大号²_X -大号²_Ý） - （3/2）κλ大号·小号+ β [ - （3/2 ）κ大号_ü +克_e S_u ]·H_u（u=x，y，z）），这可以通过八面体几何形状的四边形伸长来解释。通过角重叠模型计算和密度泛函理论计算来确定磁结构相关性。

更新日期：2017-10-31

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