Computational Study of the C−H Bond Activation in Ethylene on a Binuclear Ruthenium Complex

2008 ◽  
Vol 27 (15) ◽  
pp. 3681-3692 ◽  
Author(s):  
Samat Tussupbayev ◽  
Sergei F. Vyboishchikov
Keyword(s):  
Bond Activation ◽  
Ruthenium Complex ◽  
Computational Study

Selective C−C vs C−H Bond Activation by Rhodium(I) PCP Pincer Complexes. A Computational Study

2000 ◽  
Vol 122 (29) ◽  
pp. 7095-7104 ◽  
Author(s):  
Andreas Sundermann ◽  
Olivier Uzan ◽  
David Milstein ◽  
Jan M. L. Martin
Keyword(s):  
Bond Activation ◽  
Computational Study ◽  
Pincer Complexes ◽  
Pcp Pincer

Unexpected Stability of CO-Coordinated Palladacycle in Bidentate Auxiliary Directed C(sp3)–H Bond Activation: A Combined Experimental and Computational Study

2019 ◽  
Vol 38 (9) ◽  
pp. 2022-2030 ◽  
Author(s):  
Yi Jiang ◽  
Shuo-Qing Zhang ◽  
Fei Cao ◽  
Jiao-Xia Zou ◽  
Jing-Lu Yu ◽  
...  
Keyword(s):  
Bond Activation ◽  
Computational Study

Unveiling the potential of scandium complexes for methane C–H bond activation: a computational study

2019 ◽  
Vol 43 (31) ◽  
pp. 12257-12263 ◽  
Author(s):  
Ana Paula de Lima Batista ◽  
Antonio G. S. de Oliveira-Filho ◽  
Ataualpa A. C. Braga
Keyword(s):  
Bond Activation ◽  
Computational Study ◽  
Mild Conditions

Sc(i) complexes activate methane C–H bonds under mild conditions.

Computational study of the double C–Cl bond activation of dichloromethane and phosphinealkylation at [CoCl(PR3)3]

2013 ◽  
Vol 42 (12) ◽  
pp. 4208-4217 ◽  
Author(s):  
Andrés G. Algarra ◽  
Pierre Braunstein ◽  
Stuart A. Macgregor
Keyword(s):  
Bond Activation ◽  
Computational Study

scholarly journals Metal control of selectivity in acetate-assisted C–H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)–H bonds at Ir and Rh

2014 ◽  
Vol 5 (6) ◽  
pp. 2340-2346 ◽  
Author(s):  
Kevin J. T. Carr ◽  
David L. Davies ◽  
Stuart A. Macgregor ◽  
Kuldip Singh ◽  
Barbara Villa-Marcos
Keyword(s):  
Bond Activation ◽  
Computational Study ◽  
Metal Catalyst ◽  
Kinetic Control ◽  
Dft Studies ◽  
Thermodynamic Control

Experimental and DFT studies show the selectivity of C–H bond activation at [MCl2Cp*]2 (M = Ir, Rh) species can be controlled by the choice of metal catalyst, reflecting kinetic control at M = Ir and thermodynamic control at M = Rh.

C–H Monoarylation of Naphthylpyrimidines with Aryl Chlorides Catalyzed by a Water-Soluble Ruthenium Complex

Synlett ◽  
2018 ◽  
Vol 29 (13) ◽  
pp. 1729-1734 ◽  
Author(s):  
Zhi-Qiang Wang ◽  
Xin-Qi Hao ◽  
Chen Xu ◽  
Hong-Mei Li ◽  
Tian-Yong Tu ◽  
...  
Keyword(s):  
Catalytic System ◽  
Bond Activation ◽  
Ruthenium Complex ◽  
Water Soluble ◽  
One Pot ◽  
Aryl Chlorides

Selective monoarylation of naphthylpyrimidines with a variety of aryl chlorides through C–H bond activation in water was achieved by using a water-soluble [RuCl2-(η6-PhOCH2CH2OH)]2/phosphine catalytic system. The monoarylation occurred at the C-2 carbon of the naphthalene moiety, and selectively polysubstituted naphthylpyrimidines were obtained by a one-pot reaction involving a subsequent hetarylation with 2-pyridyl chlorides.

Selective aromatization of the A-ring of steroids through carbon-carbon, carbon-hydrogen, and carbon-oxygen bond activation by an electrophilic ruthenium complex

1993 ◽  
Vol 115 (9) ◽  
pp. 3484-3493 ◽  
Author(s):  
Francisco Urbanos ◽  
Malcolm A. Halcrow ◽  
Juan Fernandez-Baeza ◽  
Francoise Dahan ◽  
Daniel Labroue ◽  
...  
Keyword(s):  
Bond Activation ◽  
Ruthenium Complex ◽  
Oxygen Bond

scholarly journals Si–H addition followed by C–H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study

2014 ◽  
Vol 5 (8) ◽  
pp. 3165 ◽  
Author(s):  
Wenshan Ren ◽  
Enwei Zhou ◽  
Bo Fang ◽  
Guofu Zi ◽  
De-Cai Fang ◽  
...  
Keyword(s):  
Bond Activation ◽  
Computational Study
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