Isolation and molecular structure of hexacyanoruthenate(III)

被引：35

作者：

Bendix, J

Steenberg, P

Sotofte, I

机构：

[1] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark

[2] Tech Univ Denmark, Dept Chem, DK-2800 Lyngby, Denmark

来源：

INORGANIC CHEMISTRY | 2003年 / 42卷 / 15期

关键词：

D O I：

10.1021/ic034287n

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The [Ru(CN)(6)](3-) ion is synthesized in aqueous solution and isolated as [Ph(4)AS](3)[Ru(CN)(6)].2H(2)O (1). Compound 1 crystallizes as orange needles in the monoclinic space group P2(1)/n with cell parameters a = 11.346(2) Angstrom, b = 23,107(5) Angstrom, c = 25.015(5) Angstrom, beta = 99.55(3)degrees, V = 6467.1(22) Angstrom(3), Z = 4. The octahedral anion has Ru-C bond lengths in the range 2.023(6)-2.066(6) Angstrom. DFT calculations reproduce experimental geometries for [M(CN)(6)](3-) (M = Fe, Ru) equally well and yield significantly higher spin densities on the cyanide ligands in [M(CN)(6)](3-) (M = Ru, Os) than in [Fe(CN)(6)](3-).

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页码：4510 / 4512

页数：3

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