Hydrogen atom ≈ Hydrogen atom
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Dual Catalysis Strategies in Photochemical Synthesis Open
The interaction between an electronically excited photocatalyst and an organic molecule can result in the genertion of a diverse array of reactive intermediates that can be manipulated in a variety of ways to result in synthetically useful…
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Direct Photocatalyzed Hydrogen Atom Transfer (HAT) for Aliphatic C–H Bonds Elaboration Open
Direct photocatalyzed hydrogen atom transfer (d-HAT) can be considered a method of choice for the elaboration of aliphatic C–H bonds. In this manifold, a photocatalyst (PCHAT) exploits the energy of a photon to trigger the homolytic cleava…
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Mechanism of Hydrogen Evolution Reaction on 1T-MoS<sub>2</sub> from First Principles Open
The 1T phase of transition-metal dichalcogenides (TMDs) has been shown in recent experiments to display excellent catalytic activity for hydrogen evolution reaction (HER), but the catalytic mechanism has not been elucidated so far. Herein,…
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Electronic metal–support interaction modulates single-atom platinum catalysis for hydrogen evolution reaction Open
Tuning metal–support interaction has been considered as an effective approach to modulate the electronic structure and catalytic activity of supported metal catalysts. At the atomic level, the understanding of the structure–activity relati…
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Hydrogen Atom Transfer (HAT): A Versatile Strategy for Substrate Activation in Photocatalyzed Organic Synthesis Open
The adoption of hydrogen atom transfer (HAT) in a photocatalytic approach, in which an excited catalyst is responsible for substrate activation, offers unique opportunities in organic synthesis, enabling the straightforward activation of R…
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Synthetic Applications of Proton-Coupled Electron Transfer Open
Redox events in which an electron and proton are exchanged in a concerted elementary step are commonly referred to as proton-coupled electron transfers (PCETs). PCETs are known to operate in numerous important biological redox processes, a…
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Atomic-scale control of graphene magnetism by using hydrogen atoms Open
Hydrogen atom makes graphene magnetic Graphene has many extraordinary mechanical and electronic properties, but it's not magnetic. To make it so, the simplest strategy is to modify its electronic structure to create unpaired electrons. Res…
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Complementary Strategies for Directed C(sp<sup>3</sup>)−H Functionalization: A Comparison of Transition‐Metal‐Catalyzed Activation, Hydrogen Atom Transfer, and Carbene/Nitrene Transfer Open
The functionalization of C(sp 3 )−H bonds streamlines chemical synthesis by allowing the use of simple molecules and providing novel synthetic disconnections. Intensive recent efforts in the development of new reactions based on C−H functi…
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Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution Open
Developing high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic fr…
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O–H hydrogen bonding promotes H-atom transfer from α C–H bonds for C-alkylation of alcohols Open
A trio helps activate C-H bonds in alcohols Enzymes can accelerate chemical reactions by activating specific portions of a molecule through well-placed H bonds. Jeffrey et al. showcase the power of H-bonding in a synthetic context. Here, r…
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Remote C–H Functionalization via Selective Hydrogen Atom Transfer Open
The selective functionalization of remote C–H bonds via intramolecular hydrogen atom transfer (HAT) is transformative for organic synthesis. This radical-mediated strategy provides access to novel reactivity that is complementary to closed…
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Visible light photoredox-catalysed remote C–H functionalisation enabled by 1,5-hydrogen atom transfer (1,5-HAT) Open
The generation of heteroatom-centred radicals followed by intramolecular 1,5-HAT and functionalisation of the translocated carbon-centred radical is an efficient way to functionalize chemo- and regio-selectively the remote unactivated C(sp…
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Food Antioxidants: Chemical Insights at the Molecular Level Open
In this review, we briefly summarize the reliability of the density functional theory (DFT)-based methods to accurately predict the main antioxidant properties and the reaction mechanisms involved in the free radical–scavenging reactions o…
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Enantioselective Radical Reactions Using Chiral Catalysts Open
Benefiting from the impressive increase in fundamental knowledge, the last 20 years have shown a continuous burst of new ideas and consequently a plethora of new catalytic methods for enantioselective radical reactions. This review aims to…
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C–H functionalization reactions enabled by hydrogen atom transfer to carbon-centered radicals Open
Intramolecular and intermolecular HAT to C-centered radicals enables selective C–H functionalization of organic molecules.
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Catalytic hydrogen atom transfer to alkenes: a roadmap for metal hydrides and radicals Open
Hydrogen atom transfer from metal hydrides to alkenes appears to underlie widely used catalytic methods – the mechanistic implications are fascinating.
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Direct Aldehyde C–H Arylation and Alkylation via the Combination of Nickel, Hydrogen Atom Transfer, and Photoredox Catalysis Open
A mechanism that enables direct aldehyde C-H functionalization has been achieved via the synergistic merger of photoredox, nickel, and hydrogen atom transfer catalysis. This mild, operationally simple protocol transforms a wide variety of …
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Nickel‐Catalyzed Barton Decarboxylation and Giese Reactions: A Practical Take on Classic Transforms Open
Two named reactions of fundamental importance and paramount utility in organic synthesis have been reinvestigated, the Barton decarboxylation and Giese radical conjugate addition. N ‐hydroxyphthalimide (NHPI) based redox‐active esters were…
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A Continuum of Proton-Coupled Electron Transfer Reactivity Open
Proton-coupled electron transfer (PCET) covers a wide range of reactions involving the transfer(s) of electrons and protons. The best-known PCET reaction, hydrogen atom transfer (HAT), has been studied in detail for more than a century. HA…
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Synthesis and Stability of Lanthanum Superhydrides Open
Recent theoretical calculations predict that megabar pressure stabilizes very hydrogen‐rich simple compounds having new clathrate‐like structures and remarkable electronic properties including room‐temperature superconductivity. X‐ray diff…
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Light <b>-</b> driven deracemization enabled by excited <b>-</b> state electron transfer Open
Charging through the looking glass Asymmetric catalysis is a commonly applied technique to prepare just one of two mirror-image products in a chemical reaction. But what if you already have the compound you want, stuck in a mixture of left…
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Copper Catalyzed C(sp<sup>3</sup>)–H Bond Alkylation via Photoinduced Ligand-to-Metal Charge Transfer Open
Utilizing catalytic CuCl2 we report the functionalization of numerous feedstock chemicals via the coupling of unactivated C(sp3)-H bonds with electron-deficient olefins. The active cuprate catalyst undergoes Ligand-to-Metal Charge Transfer…
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Photoinduced Formation of Hybrid Aryl Pd-Radical Species Capable of 1,5-HAT: Selective Catalytic Oxidation of Silyl Ethers into Silyl Enol Ethers Open
A direct visible light-induced generation of a hybrid aryl Pd-radical species from aryl iodide and Pd(0) is reported to enable an unprecedented (for hybrid Pd-radical species) hydrogen atom-transfer event. This approach allowed for efficie…
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Radical Chain Reduction via Carbon Dioxide Radical Anion (CO<sub>2</sub><sup>•–</sup>) Open
We developed an effective method for reductive radical formation that utilizes the radical anion of carbon dioxide (CO2•-) as a powerful single electron reductant. Through a polarity matched hydrogen atom transfer (HAT) between an electrop…
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Moving beyond bimetallic-alloy to single-atom dimer atomic-interface for all-pH hydrogen evolution Open
Single-atom-catalysts (SACs) afford a fascinating activity with respect to other nanomaterials for hydrogen evolution reaction (HER), yet the simplicity of single-atom center limits its further modification and utilization. Obtaining bimet…
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Controlling Hydrogen Activation, Spillover, and Desorption with Pd–Au Single-Atom Alloys Open
Key descriptors in hydrogenation catalysis are the nature of the active sites for H2 activation and the adsorption strength of H atoms to the surface. Using atomically resolved model systems of dilute Pd-Au surface alloys and density funct…
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Effective electronic tuning of Pt single atoms<i>via</i>heterogeneous atomic coordination of (Co,Ni)(OH)<sub>2</sub>for efficient hydrogen evolution Open
A Pt 1 /(Co,Ni)(OH) 2 /C single-atom electro-catalyst efficiently splits water for H 2 generation, via balanced water-dissociation and H 2 -formation steps from the synergistic effect of surface-defective (Co,Ni)(OH) 2 and electronically t…
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<i>N</i>-Hydroxyphthalimide-Mediated Electrochemical Iodination of Methylarenes and Comparison to Electron-Transfer-Initiated C–H Functionalization Open
An electrochemical method has been developed for selective benzylic iodination of methylarenes. The reactions feature the first use of N-hydroxyphthalimide as an electrochemical mediator for C-H oxidation to nonoxygenated products. The met…
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Unraveling the Key Features of the Reactive State of Decatungstate Anion in Hydrogen Atom Transfer (HAT) Photocatalysis Open
The decatungstate anion [W10O32]4- is a widely used photocatalyst for promoting hydrogen atom transfer (HAT) reactions. The mechanism implicated in the activation of organic substrates, however, still needs to be clarified and has been cla…
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Transition metal atom doping of the basal plane of MoS<sub>2</sub> monolayer nanosheets for electrochemical hydrogen evolution Open
A Co atom enhances the HER activity of monolayer MoS2 whereas a Ni atom exhibits the opposite effect on the same basal site.