Ligand Behavior of the [HRu3(CO)10(µ-CO)]- Cluster Anion toward a Borane: Synthesis of and Molecular and Electronic Structure of [HRu3(CO)10(µ-COBH2NME3)]

Ann K. Chipperfield; Catherine E. Housecraft; Paul R. Raithby

doi:10.1021/om00116a026

Ligand Behavior of the [HRu₃(CO)₁₀(µ-CO)]^- Cluster Anion toward a Borane: Synthesis of and Molecular and Electronic Structure of [HRu₃(CO)₁₀(µ-COBH₂NME₃)]

Ann K. Chipperfield, Catherine E. Housecraft, Paul R. Raithby

University of Cambridge

Research output: Contribution to journal › Article › peer-review

Abstract

The compound [HRu₃(CO)₁₀(µ-COBH₂NMe₃)] (1) has been obtained as a minor product from the reaction of Ru₃(CO)_12-x(NCMe)_x (x = 1,2) either with THF-BH₃ in the presence of NMe₃ or directly with Me₃N·BH₃. The second boron-containing product is proposed from spectroscopic data to be [Ru₆(CO)₁₇B][HNMe₃]. The structure of 1 has been determined by single-crystal X-ray crystallography: monoclinic, P2_l/c, a = 14.938 (2) Å, b = 9.153 (1) Å, c = 16.872 (1) Å, β = 100.66 (1)°, V = 2267 Å³, Z = 4, R_F = 2.44%. In 1, the [HRu₃(CO)₁₀(µ-CO)]^- anion formally functions as a base toward the borane; the observed bond length of the cluster μ-CO group (1.262 (4) Å) in 1 is longer than that of the corresponding bond in [HRu₃-(CO)₁₀(µ-CO)]^-. A Fenske-Hall quantum-chemical analysis of the bonding in 1 illustrates that the cluster-borane interaction is localized and results in subtle changes to the cluster bonding within the [HRu₃(CO)₁₀(µ-CO)]^- fragment.

Original language	English
Pages (from-to)	479-483
Number of pages	5
Journal	Organometallics
Volume	9
Issue number	2
DOIs	https://doi.org/10.1021/om00116a026
Publication status	Published - 1 Feb 1990

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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@article{76b1e5cb729c4b02aad429bf271d2563,

title = "Ligand Behavior of the [HRu3(CO)10(µ-CO)]- Cluster Anion toward a Borane: Synthesis of and Molecular and Electronic Structure of [HRu3(CO)10(µ-COBH2NME3)]",

abstract = "The compound [HRu3(CO)10(µ-COBH2NMe3)] (1) has been obtained as a minor product from the reaction of Ru3(CO)12-x(NCMe)x (x = 1,2) either with THF-BH3 in the presence of NMe3 or directly with Me3N·BH3. The second boron-containing product is proposed from spectroscopic data to be [Ru6(CO)17B][HNMe3]. The structure of 1 has been determined by single-crystal X-ray crystallography: monoclinic, P2l/c, a = 14.938 (2) {\AA}, b = 9.153 (1) {\AA}, c = 16.872 (1) {\AA}, β = 100.66 (1)°, V = 2267 {\AA}3, Z = 4, RF = 2.44%. In 1, the [HRu3(CO)10(µ-CO)]- anion formally functions as a base toward the borane; the observed bond length of the cluster μ-CO group (1.262 (4) {\AA}) in 1 is longer than that of the corresponding bond in [HRu3-(CO)10(µ-CO)]-. A Fenske-Hall quantum-chemical analysis of the bonding in 1 illustrates that the cluster-borane interaction is localized and results in subtle changes to the cluster bonding within the [HRu3(CO)10(µ-CO)]- fragment.",

author = "Chipperfield, {Ann K.} and Housecraft, {Catherine E.} and Raithby, {Paul R.}",

year = "1990",

month = feb,

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doi = "10.1021/om00116a026",

language = "English",

volume = "9",

pages = "479--483",

journal = "Organometallics",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - Ligand Behavior of the [HRu3(CO)10(µ-CO)]- Cluster Anion toward a Borane

T2 - Synthesis of and Molecular and Electronic Structure of [HRu3(CO)10(µ-COBH2NME3)]

AU - Chipperfield, Ann K.

AU - Housecraft, Catherine E.

AU - Raithby, Paul R.

PY - 1990/2/1

Y1 - 1990/2/1

N2 - The compound [HRu3(CO)10(µ-COBH2NMe3)] (1) has been obtained as a minor product from the reaction of Ru3(CO)12-x(NCMe)x (x = 1,2) either with THF-BH3 in the presence of NMe3 or directly with Me3N·BH3. The second boron-containing product is proposed from spectroscopic data to be [Ru6(CO)17B][HNMe3]. The structure of 1 has been determined by single-crystal X-ray crystallography: monoclinic, P2l/c, a = 14.938 (2) Å, b = 9.153 (1) Å, c = 16.872 (1) Å, β = 100.66 (1)°, V = 2267 Å3, Z = 4, RF = 2.44%. In 1, the [HRu3(CO)10(µ-CO)]- anion formally functions as a base toward the borane; the observed bond length of the cluster μ-CO group (1.262 (4) Å) in 1 is longer than that of the corresponding bond in [HRu3-(CO)10(µ-CO)]-. A Fenske-Hall quantum-chemical analysis of the bonding in 1 illustrates that the cluster-borane interaction is localized and results in subtle changes to the cluster bonding within the [HRu3(CO)10(µ-CO)]- fragment.

AB - The compound [HRu3(CO)10(µ-COBH2NMe3)] (1) has been obtained as a minor product from the reaction of Ru3(CO)12-x(NCMe)x (x = 1,2) either with THF-BH3 in the presence of NMe3 or directly with Me3N·BH3. The second boron-containing product is proposed from spectroscopic data to be [Ru6(CO)17B][HNMe3]. The structure of 1 has been determined by single-crystal X-ray crystallography: monoclinic, P2l/c, a = 14.938 (2) Å, b = 9.153 (1) Å, c = 16.872 (1) Å, β = 100.66 (1)°, V = 2267 Å3, Z = 4, RF = 2.44%. In 1, the [HRu3(CO)10(µ-CO)]- anion formally functions as a base toward the borane; the observed bond length of the cluster μ-CO group (1.262 (4) Å) in 1 is longer than that of the corresponding bond in [HRu3-(CO)10(µ-CO)]-. A Fenske-Hall quantum-chemical analysis of the bonding in 1 illustrates that the cluster-borane interaction is localized and results in subtle changes to the cluster bonding within the [HRu3(CO)10(µ-CO)]- fragment.

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U2 - 10.1021/om00116a026

DO - 10.1021/om00116a026

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ER -

Ligand Behavior of the [HRu₃(CO)₁₀(µ-CO)]^- Cluster Anion toward a Borane: Synthesis of and Molecular and Electronic Structure of [HRu₃(CO)₁₀(µ-COBH₂NME₃)]

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