Isolation and Molecular Structure of Hexacyanoruthenate(III)

J Bendix; P Steenberg; Inger Søtofte

Isolation and Molecular Structure of Hexacyanoruthenate(III)

J Bendix, P Steenberg, Inger Søtofte

Department of Chemistry

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

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-).

Original language	English
Journal	Inorg. Chem.
Volume	42
Issue number	15
Pages (from-to)	4510-4512
ISSN	0020-1669
Publication status	Published - 2003

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@article{39c61046620445aaa80de7f4a21a00df,

title = "Isolation and Molecular Structure of Hexacyanoruthenate(III)",

abstract = "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-).",

author = "J Bendix and P Steenberg and Inger S{\o}tofte",

year = "2003",

language = "English",

volume = "42",

pages = "4510--4512",

journal = "Inorg. Chem.",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "15",

}

TY - JOUR

T1 - Isolation and Molecular Structure of Hexacyanoruthenate(III)

AU - Bendix, J

AU - Steenberg, P

AU - Søtofte, Inger

PY - 2003

Y1 - 2003

N2 - 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-).

AB - 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-).

M3 - Journal article

SN - 0020-1669

VL - 42

SP - 4510

EP - 4512

JO - Inorg. Chem.

JF - Inorg. Chem.

IS - 15

ER -

Isolation and Molecular Structure of Hexacyanoruthenate(III)

Abstract

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