Square bipyramidal [Co4(CO)11(GeMe)2]; X-ray crystal structure. A new structure type for group 4–transition metal clusters

Author(s):  
Stephen P. Foster ◽  
Kenneth M. Mackay ◽  
Brian K. Nicholson
1983 ◽  
Vol 22 (9) ◽  
pp. 1339-1344 ◽  
Author(s):  
Susan Ermer ◽  
Kevin King ◽  
Kenneth I. Hardcastle ◽  
Edward Rosenberg ◽  
Anna Maria Manotti Lanfredi ◽  
...  

1996 ◽  
Vol 74 (6) ◽  
pp. 1021-1031 ◽  
Author(s):  
Krisztina L. Malisza ◽  
Lijuan Li ◽  
Michael J. McGlinchey

Molecular orbital calculations at the extended Hückel level are used to rationalize the barriers to vertex rotation in the tetrahedral metal cluster complexes FeCo2(CO)9S, 2, and (C5H5)MoCo2(CO)8CH, 3. It is shown that, in accord with experimental observations on 2, rotation of an Fe(CO)3 fragment through 60° brings about a weakening of the metal–metal bonding interactions within the FeCo2 triangle. In the MoCo2 cluster, 3, rotation of the CpMo(CO)2 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 oriented proximal or distal relative to the capping carbynyl moiety, or in the plane of the three metals. The rotation trajectory of the CpMo(CO)2 vertices in Cp2Mo2(CO)4(HC≡CH), 4, has been elucidated by means of a Bürgi–Dunitz analysis of the X-ray crystal structures of a series of related clusters in which the CpMo(CO)2 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.


Author(s):  
Saber Gueddida ◽  
Michael Badawi ◽  
Tejraj Aminabhavi ◽  
Sébastien Lebègue

Biomass-based renewable hydrocarbon fuel is a complex mix that contains many oxygenating substances, in particular phenolics, which leads to adverse consequences such as reduced engine energy performance and increased toxic gas emissions.


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