The crystal structure of Ru6C(CO)17

Sirigu, Augusto; Bianchi, Mario; Benedetti, Ettore

doi:10.1039/c2969000596a

Cited by 88 publications

(31 citation statements)

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“…The interpretation of heat flow and gravity data is, however, nonunique, and the xenolith data represent a limited sampling of the deep structure of the tectosphere. High-resolution seismic tomography provides detailed reconstructions of the threedimensional (3D) structure in the mantle (10)(11)(12)(13). Tomographic models derived from short-period seismic surface waves (10,13) provide optimal vertical resolution of the 3D structure in the tectosphere (14).…”

Section: Geodynamic Evidence For a Chemically Depleted Continental Tementioning

confidence: 99%

“…High-resolution seismic tomography provides detailed reconstructions of the threedimensional (3D) structure in the mantle (10)(11)(12)(13). Tomographic models derived from short-period seismic surface waves (10,13) provide optimal vertical resolution of the 3D structure in the tectosphere (14). These 3D models show a tectosphere characterized by sublithospheric shear wave speeds about 5% faster than shear wave speeds in the ambient mantle.…”

Section: Geodynamic Evidence For a Chemically Depleted Continental Tementioning

confidence: 99%

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Planar Hexacoordinate Carbon: A Viable Possibility

Exner

Schleyer

2000

Science

309

280

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The viability of molecules with planar hexacoordinate carbon atoms is demonstrated by density-functional theory (DFT) calculations for CB6(2-), a CB6H2 isomer, and three C3B4 minima. All of these species have six pi electrons and are aromatic. Although other C3B4 isomers are lower in energy, the activation barriers for the rearrangements of the three planar carbon C3B4 minima into more stable isomers are appreciable, and experimental observation should be possible. High-level ab initio calculations confirm the DFT results. The planar hexacoordination in these species does not violate the octet rule because six partial bonds to the central carbons are involved.

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Section: Geodynamic Evidence For a Chemically Depleted Continental Tementioning

confidence: 99%

Section: Geodynamic Evidence For a Chemically Depleted Continental Tementioning

confidence: 99%

Planar Hexacoordinate Carbon: A Viable Possibility

Exner

Schleyer

2000

Science

309

280

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“…The octahedral core geometry and interstitial ji 6carbido ligand have been crystallographically confirmed. 172 ' 173 The osmium analogue of (109), OS 6 (JLI 6 -C)(CO) 17 , is obtained in 2% yield from oxidation of the reaction mixture resulting from prolonged interaction of Os 3 (CO) 12 and sodium in refluxing diglyme under a CO atmosphere. 242 The compound was identified by MS and IR; the presumed intermediate, [Os 6 (ji 6 -C)(CO) 16 ] 2~, has not been isolated.…”

Section: Carbido Complexesmentioning

confidence: 99%

Medium- and High-nuclearity Clusters of Ruthenium and Osmium

Cifuentes

Humphrey

1995

Comprehensive Organometallic Chemistry II

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“…One of many examples that might be discussed is Ru6(CO)17C (16). With 24 orbitals required for the Ru-Ru bonds, 28 for bonds to carbonyl carbon, and 4 for the other carbon atom, an extra orbital is needed.…”

Section: Hybrid Bond Orbitalsmentioning

confidence: 99%

Structure of transition-metal cluster compounds: Use of an additional orbital resulting from the f, g character of spd bond orbitals

Pauling¹

1977

Proc. Natl. Acad. Sci. U.S.A.

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A general theory of the structure of complexes of the transition metals is developed on the basis of the enneacovalence of the metals and the requirements of the electroneutrality principle. An extra orbital may be provided through the small but not negligible amount of fand g character of spd bond orbitals, and an extra electron or electron air may be accepted in this orbital for a single metal or a c uster to neutralize the positive electric charge resulting from the partial ionic character of the bonds with ligands, suc-h as the carbonyl group. Examples of cluster compounds of cobalt, ruthenium, rhodium, osmium, and gold are discussed. The composition and structure of a great many compounds of transition metals correspond well to the assumption that transition-metal atoms can use their set of nine hybrid sp3d5 bond orbitals in forming bonds (1-4). For example, cobalt has nine outer electrons and accordingly can form nine bonds, as in the molecule hydridotetracarbonylcobalt, HCo(CO)4, in which a single bond is formed with a hydrogen atom and double bonds are formed with each of the four carbon atoms. Another example is the enneahydridorhenate anion, [ReHg]2-, in which the rhenium atom, which has increased its number of valence electrons from 7 to 9 by transfer of 2 from an electropositive metal (potassium in K2ReHg), forms single bonds with each of 9 hydrogen atoms. A few complexes are known, however, for which the composition and structure indicate that an additional stable orbital, which can serve as a bond orbital, is present. The explanation of this deviation from the predictions of the simple hybrid-orbital theory of chemical bonds has not been obvious. I have now found that consideration of the f, and to some extent the g, character of spd bond orbitals leads to the conclusion that some transition-metal atoms or clusters of them are provided with an additional bond orbital by the release of some spd character through the contribution of a small amount of f and g character by the relatively unstablef and g orbitals. Hybrid bond orbitalsIn the simple theory of hybrid bond orbitals (5, 6) the bond strength S, equal to the value of the angular part of the wave function in the bond direction, is taken as a measure of the bond-forming power of the orbital. The values of S for the best hybrid sp, spd, and spdf bond orbitals are 2, 3, and 4, respectively. The carbon atom is usually described as forming bonds in the four tetrahedral directions by using a set of four best Sp3 bond orbitals, each with strength 2. It has been pointed out, however, that the bond orbitals have some d and f character,The costs of publication of this article were defrayed in part by the payment of page charges. This article must therefore be hereby marked "advertisement" in accordance with 18 U. S. C. §1734 solely to indicate this fact. estimated at about 4 and 2%, respectively, which increases the value of S to about 2.76, thus making the bonds significantly stronger (ref. 6, p. 126). The spectral term values for potassium, rub...

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The crystal structure of Ru6C(CO)17

Cited by 88 publications

References 0 publications

Planar Hexacoordinate Carbon: A Viable Possibility

Planar Hexacoordinate Carbon: A Viable Possibility

Medium- and High-nuclearity Clusters of Ruthenium and Osmium

Structure of transition-metal cluster compounds: Use of an additional orbital resulting from the f, g character of spd bond orbitals

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