Synthesis and Reactivity of an Iridium(I) Acetonyl PNP Complex. Experimental and Computational Study of Metal−Ligand Cooperation in H−H and C−H Bond Activation via Reversible Ligand Dearomatization

2010 ◽  
Vol 29 (17) ◽  
pp. 3817-3827 ◽  
Author(s):  
Leonid Schwartsburd ◽  
Mark A. Iron ◽  
Leonid Konstantinovski ◽  
Yael Diskin-Posner ◽  
Gregory Leitus ◽  
...  
Keyword(s):  
Bond Activation ◽  
Computational Study ◽  
Metal Ligand

A coordinatively unsaturated iridium complex with an unsymmetrical redox-active ligand: (spectro)electrochemical and reactivity studies

2019 ◽  
Vol 48 (37) ◽  
pp. 13931-13942 ◽  
Author(s):  
Sebastian Sobottka ◽  
Margarethe Behr van der Meer ◽  
Estelle Glais ◽  
Uta Albold ◽  
Simon Suhr ◽  
...  
Keyword(s):  
Bond Activation ◽  
Iridium Complex ◽  
Iridium Complexes ◽  
Redox Active Ligand ◽  
Active Ligand ◽  
Redox Active ◽  
Metal Ligand

Metal–ligand cooperativity can be used in iridium complexes with an unsymmetrically substituted redox-active diamidobenzene ligand for bond activation reactions.

scholarly journals Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study

2016 ◽  
Vol 18 (3) ◽  
pp. 2192-2201 ◽  
Author(s):  
Thomas D. Bennett ◽  
Tanya K. Todorova ◽  
Emma F. Baxter ◽  
David G. Reid ◽  
Christel Gervais ◽  
...  
Keyword(s):  
Ball Milling ◽  
Computational Study ◽  
Metal Organic Frameworks ◽  
Bond Breaking ◽  
Metal Organic ◽  
Metal Ligand ◽  
Ligand Bond

Ball-milling amorphization of UiO-66, MIL-140B and MIL-140C was observed to proceed by metal–ligand bond breaking, and linked to the generation of successive defects.

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

scholarly journals Applications of bond energies of transition-metal-ligand σ-bonds inC–H bond activation

2021 ◽  
Vol 51 (2) ◽  
pp. 110-122
Author(s):  
Jin-Pei Cheng ◽  
Jun-Yan Wu ◽  
Jin-Dong Yang
Keyword(s):  
Transition Metal ◽  
Bond Activation ◽  
Bond Energies ◽  
Sigma Bonds ◽  
Metal Ligand

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

Metal–Ligand Cooperative Si ─ H Bond Activation

2019 ◽  
pp. 115-130
Author(s):  
Francis Forster ◽  
Martin Oestreich
Keyword(s):  
Bond Activation ◽  
Metal Ligand

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.

scholarly journals Manganese(I)-Catalyzed H–P Bond Activation via Metal–Ligand Cooperation

2021 ◽  
Author(s):  
Juana M. Pérez ◽  
Roxana Postolache ◽  
Marta Castiñeira Reis ◽  
Esther G. Sinnema ◽  
Denisa Vargová ◽  
...  
Keyword(s):  
Bond Activation ◽  
Metal Ligand

Preparation of a Borane-Appended Co(III) Hydride: Evidence for Metal-Ligand Cooperativity in O—H Bond Activation

2021 ◽  
Author(s):  
Joseph A Zurakowski ◽  
Brady Austen ◽  
Maeve C Dufour ◽  
Moulika Bhattacharyya ◽  
Denis M Spasyuk ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Bond Activation ◽  
Chemical Transformations ◽  
Important Chemical ◽  
Metal Ligand

Cobalt hydrides are known to mediate a number of important chemical transformations including proton (H+), hydride (H—), and hydrogen-atom (Hdot) transfer. Central to the tunability of such frameworks is judicious...

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