Reversible carbon-hydrogen bond insertion/reductive elimination in (.eta.5-pentamethylcyclopentadienyl)(trimethylphosphine)iridium complexes. Use in determining relative metal-carbon bond energies and thermally activating methane

1984 ◽  
Vol 106 (4) ◽  
pp. 1121-1122 ◽  
Author(s):  
Michael J. Wax ◽  
Jeffrey M. Stryker ◽  
J. Michael Buchanan ◽  
Caroline A. Kovac ◽  
Robert G. Bergman
Keyword(s):  
Hydrogen Bond ◽  
Reductive Elimination ◽  
Iridium Complexes ◽  
Bond Energies ◽  
Carbon Bond

Synthesis, structure, and reductive elimination in the series Tp′Rh(PR3)(ArF)H; Determination of rhodium–carbon bond energies of fluoroaryl substituents

2010 ◽  
Vol 39 (43) ◽  
pp. 10495 ◽  
Author(s):  
Taro Tanabe ◽  
William W. Brennessel ◽  
Eric Clot ◽  
Odile Eisenstein ◽  
William D. Jones
Keyword(s):  
Reductive Elimination ◽  
Bond Energies ◽  
Carbon Bond

Diverse mechanisms of carbon-hydrogen bond formation through binuclear reductive elimination reactions

1982 ◽  
Vol 104 (2) ◽  
pp. 619-621 ◽  
Author(s):  
Mario J. Nappa ◽  
Roberto Santi ◽  
Steven P. Diefenbach ◽  
Jack Halpern
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Reductive Elimination ◽  
Hydrogen Bond Formation ◽  
Elimination Reactions

Contributions to Silicon-Hydrogen Bond-Stretching Frequency in Amorphous Si Alloys

1992 ◽  
Vol 258 ◽  
Author(s):  
Z. Jing ◽  
J. L. Whitten ◽  
G. Lucovsky
Keyword(s):  
Experimental Data ◽  
Hydrogen Bond ◽  
Dielectric Constant ◽  
Ab Initio ◽  
Effective Dielectric Constant ◽  
Bond Energies ◽  
Calculated Frequency ◽  
Bond Stretching ◽  
Amorphous Si ◽  
Good Agreement

ABSTRACTWe have performed ab initio calculations and determined the bond-energies and vibrational frequencies of Si-H groups that are: i) attached to Si-atoms as their immediate, and also more distant neighbors; and ii) attached to three O-atoms as their immediate neighbors, but are connected to an all Si-atom matrix. These arrangements simulate bonding geometries on Si surfaces, and the calculated frequency for i) is in good agreement with that of an Si-H group on an Si surface. To compare these results with a-Si:H alloys it is necessary to take into account an additional factor: the effective dielectric constant of the host. We show how to do this, demonstrating the way results of the ab initio calculations should then be compared with experimental data.

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