Lowering the C-H Bond Activation Barrier of Methane Using SAC@Cu(111): A Periodic DFT Investigations
, 2021 Methane has long captured the world\u27s spotlight for being the simplest and yet one of the most notorious hydrocarbon. Exploring its potential to be converted into value added products has raised a compelling interest.
Meema, Bhati +2 more
core +1 more source
C−H Bond Activation of Hydrocarbons by an Imidozirconocene Complex [PDF]
Journal of the American Chemical Society, 2004 AbstractFor Abstract see ChemInform Abstract in Full Text.
Helen M, Hoyt +2 more
openaire +3 more sources
Systematic Assessment of the Catalytic Reactivity of Frustrated Lewis Pairs in C-H Bond Activation
Molecules, 2023 Unreactive C-H bond activation is a new horizon for frustrated Lewis pair (FLP) chemistry. This study provides a systematic assessment of the catalytic reactivity of recently reported intra-molecular FLPs on the activation of typical inert C-H bonds ...
Yongjie Guo +7 more
doaj +1 more source
C-H Bond Activation via Concerted Metalation-Deprotonation at a Palladium(III) Center
, 2022 Herein we report the direct observation of C-H bond activation at an isolated mononuclear Pd(III) center. The oxidation of the Pd(II) complex (MeN4)PdII(neophyl)Cl (neophyl = -CH2C(CH3)2Ph; MeN4 = N,N′-di-tert-butyl-2,11-diaza[3.3](2,6)pyridinophane ...
Dae Young, Bae +3 more
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Computational exploration of the reaction mechanism of the Cu+-catalysed synthesis of indoles from N-aryl enaminones [PDF]
Royal Society Open Science, 2016 We have studied the role of Cu+-phenantroline as a catalyst in the cyclization of N-aryl-enaminones using density-functional theory computations. The catalyst was found to bind the substrate upon deprotonation of its eneaminone, and to dramatically ...
Carlos E. P. Bernardo, Pedro J. Silva
doaj +1 more source
δ-C(sp3)H Activation of Free Alcohols Enabled by Rationally Designed H-Bond-Acceptor Ligands
, 2023 The ability to employ a wide range of native substrates is essential for the broad application of transition-metal-catalyzed C–H activation. Recent advances have made native carboxylic acids, ketones, and amines amenable to C(sp3)–H activation, but ...
Jin-Quan, Yu +4 more
core +1 more source
Dehydrogenative Double C−H Bond Activation in a Germylene‐Rhodium Complex** [PDF]
Chemistry – A European Journal, 2021 Abstract Transition metal tetrylene complexes offer great opportunities for molecular cooperation due to the ambiphilic character of the group 14 element. Here we focus on the coordination of germylene [(Ar Mes2 ) 2 Ge :] (Ar
Sonia Bajo +3 more
openaire +6 more sources
, 2021 The use of oxygen-based electrophiles in cross-coupling remains challenging for substrates with strong C–O bonds, with few examples that can combine C–O activation with an-other strong-bond activation in tandem.
Nahiane, Pipaon Fernandez +4 more
core +1 more source
Ni-catalyzed benzylic β-C(sp3)–H bond activation of formamides
Nature Communications, 2022 The development of 3d-metal-catalyzed β-C–H bond activation via 4-membered metallacycles remains an elusive challenge. Here, the authors report a Ni-Al bimetal-catalyzed β-C(sp3)–H bond activation of formamides via 4-membered nickelacycles.
Rong-Hua Wang +7 more
doaj +1 more source
Co(III) Intermediates in Cobalt-Catalyzed, Bidentate Chelation Assisted C(sp2)-H Functionalizations
Inorganics, 2023 The C-H bond activation and functionalization is a powerful tool that provides efficient access to various organic molecules. The cobalt-catalyzed oxidative C-H bond activation and functionalization has earned enormous interest over the past two decades.
Aleksandrs Cizikovs, Liene Grigorjeva
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