The Effects of Ancillary Ligands on Metal–Carbon Bond Strengths as Determined by C–H Activation

Author(s):  
William D. Jones
2019 ◽  
Vol 58 (15) ◽  
pp. 10323-10332 ◽  
Author(s):  
Christoph Helling ◽  
Christoph Wölper ◽  
Yannick Schulte ◽  
George E. Cutsail ◽  
Stephan Schulz

1990 ◽  
Vol 90 (4) ◽  
pp. 629-688 ◽  
Author(s):  
J. A. Martinho Simoes ◽  
J. L. Beauchamp

1975 ◽  
Vol 97 (13) ◽  
pp. 3680-3682 ◽  
Author(s):  
Phillip D. Mollere ◽  
Roald Hoffmann

2012 ◽  
Vol 134 (22) ◽  
pp. 9276-9284 ◽  
Author(s):  
Gyeongshin Choi ◽  
James Morris ◽  
William W. Brennessel ◽  
William D. Jones

Polyhedron ◽  
1988 ◽  
Vol 7 (16-17) ◽  
pp. 1441-1452 ◽  
Author(s):  
Henry E. Bryndza ◽  
Peter J. Domaille ◽  
Wilson Tam ◽  
Lawrence K. Fong ◽  
Rocco A. Paciello ◽  
...  

2018 ◽  
Vol 14 ◽  
pp. 2872-2880 ◽  
Author(s):  
Magdalena Jawiczuk ◽  
Angelika Janaszkiewicz ◽  
Bartosz Trzaskowski

Cationic carbenes are a relatively new and rare group of ancillary ligands, which have shown their superior activity in a number of challenging catalytic reactions. In ruthenium-based metathesis catalysis they are often used as ammonium tags, to provide water-soluble, environment-friendly catalysts. In this work we performed computational studies on three cationic carbenes with the formal positive charge located at different distances from the carbene carbon. We show that the predicted initiation rates of Grubbs, indenylidene, and Hoveyda–Grubbs-like complexes incorporating these carbenes show little variance and are similar to initiation rates of standard Grubbs, indenylidene, and Hoveyda–Grubbs catalysts. In all investigated cases the partial charge of the carbene carbon atom is similar, resulting in comparable Ccarbene–Ru bond strengths and Ru–P/O dissociation Gibbs free energies.


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