ChemInform Abstract: CHEMISTRY OF DI‐ AND TRIMETAL COMPLEXES WITH BRIDGING CARBENE OR CARBYNE LIGANDS. PART 10. SYNTHESIS OF DICOBALT‐ AND DIRHODIUM‐TUNGSTEN COMPLEXES WITH μ3‐TOLYLIDYNE GROUPS; CRYSTAL STRUCTURES OF (CO2W(μ3‐CC6H4ME‐4)(CO)8(η‐C5H5)) AND (RH2W(μ3‐CC6H4ME‐4)(ACAC)2(μ‐CO)(CO)2(η‐C5H5)) (ACAC = ACETYLACETONATE)

Chetcuti, Michael J.; Chetcuti, Peter A.; Jeffery, John C.; Mills, Rona M.; Mitrprachachon, P.; Pickering, Susan J.; Stone, F. Gordon A.; Woodward, Peter

doi:10.1002/chin.198227275

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“…As mentioned previously, two essentially identical X-ray structures of type 3 a have been reported (12,13) and also one of type 3b. Another molecule closely analogous to 13 is the (C5H5)Fe3(C0)8C-OMe cluster 14 reported by Aitchison and Farrugia (21), and shown in Fig.…”

Section: Ar Omesupporting

confidence: 70%

Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co₂Fe(CO)₉S, CpMoCo₂(CO)₈CR, and in Cp₂Mo₂(CO)₄(RC≡CR)

Malisza¹,

Li²,

McGlinchey³

1996

Can. J. Chem.

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Molecular orbital calculations at the extended Huckel level are used to rationalize the baniers to vertex rotation in the tetrahedral metal cluster complexes F~CO,(CO)~S, 2, and (C5H5)MoCo,(CO),CH, 3. It is shown that, in accord with experimental observations on 2, rotation of an Fe(CO), fragment through 60' brings about a weakening of the metal-metal bonding interactions within the FeCo, triangle. In the MoCo, cluster, 3, rotation of the CpMo(CO), fragment about an axis joining the molybdenum to a central point within the tetrahedron gives rise to three minima in which the cyclopentadienyl ring is orientedproximal or distal relative to the capping carbynyl moiety, or in the plane of the three metals. The rotation trajectory of the CpMo(CO), vertices in Cp,Mo,(CO),(HC=CH), 4, has been elucidated by means of a Burgi-Dunitz analysis of the X-ray crystal structures of a series of related clusters in which the CpMo(CO), units exhibit a range of orientations. The calculations suggest that the barriers to vertex rotations in 4 are primarily of steric rather than electronic origin.Key words: metal clusters, vertex rotations, EHMO calculations.

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Section: Ar Omesupporting

confidence: 70%

Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co₂Fe(CO)₉S, CpMoCo₂(CO)₈CR, and in Cp₂Mo₂(CO)₄(RC≡CR)

Malisza¹,

Li²,

McGlinchey³

1996

Can. J. Chem.

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Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co₂Fe(CO)₉S, CpMoCo₂(CO)₈CR, and in Cp₂Mo₂(CO)₄(RC≡CR)

Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co₂Fe(CO)₉S, CpMoCo₂(CO)₈CR, and in Cp₂Mo₂(CO)₄(RC≡CR)

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Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co2Fe(CO)9S, CpMoCo2(CO)8CR, and in Cp2Mo2(CO)4(RC≡CR)

Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co2Fe(CO)9S, CpMoCo2(CO)8CR, and in Cp2Mo2(CO)4(RC≡CR)

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Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co₂Fe(CO)₉S, CpMoCo₂(CO)₈CR, and in Cp₂Mo₂(CO)₄(RC≡CR)

Delocalized bonding in tetrahedral organo-transition metal clusters: an EHMO study of metal vertex rotations in Co₂Fe(CO)₉S, CpMoCo₂(CO)₈CR, and in Cp₂Mo₂(CO)₄(RC≡CR)