Metal-Ligand Cooperation in Catalytic Intramolecular Hydroamination: A Computational Study of Iridium-Pyrazolato Cooperative Activation of Aminoalkenes

2012 ◽  
Vol 18 (23) ◽  
pp. 7248-7262 ◽  
Author(s):  
Sven Tobisch
Keyword(s):  
Computational Study ◽  
Cooperative Activation ◽  
Metal Ligand

Rh(I) Complex with a Tridentate Pyridine–Amino–Olefin Actor Ligand–Metal–Ligand Cooperative Activation of CO2 and Phenylisocyanate under C–C and Rh–E (E = O, N) Bond Formation

2019 ◽  
Vol 38 (8) ◽  
pp. 1787-1799 ◽  
Author(s):  
Isabell Heuermann ◽  
Benjamin Heitmann ◽  
Rasmus Stichauer ◽  
Daniel Duvinage ◽  
Matthias Vogt
Keyword(s):  
Bond Formation ◽  
Cooperative Activation ◽  
Metal Ligand

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.

scholarly journals Front Cover: Metal‐ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes (14/2021)

2021 ◽  
Vol 647 (14) ◽  
pp. 1397-1397
Author(s):  
Annika M. Krieger ◽  
Vivek Sinha ◽  
Adarsh V. Kalikadien ◽  
Evgeny A. Pidko
Keyword(s):  
Pincer Complexes ◽  
Front Cover ◽  
Cooperative Activation ◽  
Metal Ligand

scholarly journals Metal–ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand

2016 ◽  
Vol 45 (40) ◽  
pp. 16033-16039 ◽  
Author(s):  
Linda E. Eijsink ◽  
Sébastien C. P. Perdriau ◽  
Johannes G. de Vries ◽  
Edwin Otten
Keyword(s):  
Ruthenium Complex ◽  
Pincer Ligand ◽  
Pincer Complex ◽  
Cooperative Activation ◽  
Metal Ligand

Metal–ligand cooperative activation of nitriles by a de-aromatized Ru pincer complex leads to equilibrium mixtures (tautomers) as a result of ligand deprotonation by the Brønsted basic Ru-ketimido moiety.

scholarly journals O-Functionalised NHC Ligands for Efficient Nickel-catalysed C–O Hydrosilylation

2020 ◽  
Vol 74 (6) ◽  
pp. 483-488
Author(s):  
Simone Bertini ◽  
Martin Albrecht
Keyword(s):  
Transition Metals ◽  
Catalytic System ◽  
Nickel Complexes ◽  
Nickel Catalysts ◽  
Catalytic Performance ◽  
Carbonyl Groups ◽  
Cooperative Activation ◽  
Aldehyde Reduction ◽  
Metal Ligand

A series of C,O-bidentate chelating mesoionic carbene nickel(ii) complexes [Ni(NHC^PhO)2] (NHC = imidazolylidene or triazolylidene) were applied for hydrosilylation of carbonyl groups. The catalytic system is selective towards aldehyde reduction and tolerant to electron-donating and -withdrawing group substituents. Stoichiometric experiments in the presence of different silanes lends support to a metal–ligand cooperative activation of the Si–H bond. Catalytic performance of the nickel complexes is dependent on the triazolylidene substituents. Butyl-substituted triazolylidene ligands impart turnover numbers up to 7,400 and turnover frequencies of almost 30,000 h-1, identifying this complex as one of the best-performing nickel catalysts for hydrosilylation and demonstrating the outstanding potential of O-functionalised NHC ligands in combination with first-row transition metals.

scholarly journals Metal–ligand multiple bonds as frustrated Lewis pairs for C–H functionalization

2012 ◽  
Vol 8 ◽  
pp. 1554-1563 ◽  
Author(s):  
Matthew T Whited
Keyword(s):  
Small Molecules ◽  
Metal Species ◽  
Frustrated Lewis Pairs ◽  
Acid Base ◽  
Base Pairs ◽  
Multiple Bonds ◽  
Inorganic Complexes ◽  
Cooperative Activation ◽  
Metal Ligand ◽  
Lewis Pairs

The concept of frustrated Lewis pairs (FLPs) has received considerable attention of late, and numerous reports have demonstrated the power of non- or weakly interacting Lewis acid–base pairs for the cooperative activation of small molecules. Although most studies have focused on the use of organic or main-group FLPs that utilize steric encumbrance to prevent adduct formation, a related strategy can be envisioned for both organic and inorganic complexes, in which "electronic frustration" engenders reactivity consistent with both nucleophilic (basic) and electrophilic (acidic) character. Here we propose that such a description is consistent with the behavior of many coordinatively unsaturated transition-metal species featuring metal–ligand multiple bonds, and we further demonstrate that the resultant reactivity may be a powerful tool for the functionalization of C–H and E–H bonds.

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

Topological analysis of metal–ligand and hydrogen bonds in transition metal hybrid structures – A computational study

Polyhedron ◽  
2016 ◽  
Vol 115 ◽  
pp. 193-203 ◽  
Author(s):  
Subramaniam Kavitha ◽  
Palanisamy Deepa ◽  
Mylsamy Karthika ◽  
Ramasamy Kanakaraju
Keyword(s):  
Transition Metal ◽  
Hydrogen Bonds ◽  
Computational Study ◽  
Topological Analysis ◽  
Hybrid Structures ◽  
Metal Ligand
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