Metal‐Catalyzed Hydrogen Evolution Reactions Involving Strong C−H Bonds Activation via Hydrogen Atom Transfer
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DOI: 10.1002/cctc.202100248
Abstract: Hydrogen evolution reactions have been proved to be a powerful and green strategy in organic synthesis. Differing from hydrogen evolution reactions catalyzed by noble metal pincer complex with some limitations, the reactions facilitated by merging… read more here.
Keywords: atom transfer; hydrogen; hydrogen atom; hydrogen evolution ... See more keywords
Release of Formic Acid from Copper Formate: Hydride, Proton‐Coupled Electron and Hydrogen Atom Transfer All Play their Role
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DOI: 10.1002/cphc.201900095
Abstract: Abstract Although the mechanism for the transformation of carbon dioxide to formate with copper hydride is well understood, it is not clear how formic acid is ultimately released. Herein, we show how formic acid is… read more here.
Keywords: hydrogen atom; copper; formic acid; transfer ... See more keywords
Electrochemical Activation of C-C Bonds via Mediated Hydrogen Atom Transfer Reactions.
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DOI: 10.1002/cssc.202102317
Abstract: Activating inert sp 3 -sp 3 carbon-carbon (C-C) bonds remains a major bottleneck in the chemical upcycling of recalcitrant polyolefin waste. Here, we use redox mediators to activate the inert C-C bonds. Specifically, we use… read more here.
Keywords: electrochemical activation; hydrogen atom; atom transfer;
Interstitial Hydrogen Atom to Boost Intrinsic Catalytic Activity of Tungsten Oxide for Hydrogen Evolution Reaction.
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DOI: 10.1002/smll.202207295
Abstract: Tungsten oxide (WO3 ) is an appealing electrocatalyst for the hydrogen evolution reaction (HER) owing to its cost-effectiveness and structural adjustability. However, the WO3 electrocatalyst displays undesirable intrinsic activity for the HER, which originates from… read more here.
Keywords: hydrogen atom; tungsten oxide; hydrogen; activity ... See more keywords
Effect of confining potential on information entropy measures in hydrogen atom: extensive and non-extensive entropy
Sign Up to like & getrecommendations! Published in 2019 at "Indian Journal of Physics"
DOI: 10.1007/s12648-019-01654-w
Abstract: A spherically confined hydrogen atom has been considered using two different confined potentials such as modified Kratzer and non-spherical oscillator potentials. First, the Schrödinger equation in $$ r $$ r -space has been solved and… read more here.
Keywords: entropy; hydrogen atom; confining potential; effect confining ... See more keywords
Quantum mechanics on phase space: The hydrogen atom and its Wigner functions
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DOI: 10.1016/j.aop.2018.01.002
Abstract: Abstract Symplectic quantum mechanics (SQM) considers a non-commutative algebra of functions on a phase space Γ and an associated Hilbert space H Γ , to construct a unitary representation for the Galilei group. From this… read more here.
Keywords: space; hydrogen atom; phase space; quantum mechanics ... See more keywords
Decatungstate as a direct hydrogen atom transfer photocatalyst for synthesis of trifluromethylthioesters from aldehydes
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DOI: 10.1016/j.cclet.2021.03.070
Abstract: Abstract We have developed a versatile, mild protocol for trifluoromethylthiolation reactions of aldehydes with catalysis by a decatungstate hydrogen atom transfer photocatalyst under redox-neutral conditions. The protocol is highly selective, operationally simple, and compatible with… read more here.
Keywords: atom transfer; transfer photocatalyst; hydrogen atom;
Hydrogen on graphene with low amplitude ripples: First-principles calculations
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DOI: 10.1016/j.chemphys.2019.110608
Abstract: Abstract Graphene and graphene-based materials are valuable to be used as hydrogen storage because of chemical inertness and high strength. Therefore a thorough study of hydrogen adsorption on graphene is of great interest. Although such… read more here.
Keywords: amplitude; hydrogen; hydrogen atom; graphene ... See more keywords
Hydrogen atom and water complex determine the excited state dynamics of 8-azaguanine
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DOI: 10.1016/j.chemphys.2021.111118
Abstract: Abstract Aza-substituted nucleobases are important nucleobase derivatives due to their potential application as clinic medicines. However, photosensitivity of aza-nucleobases has been reported and understanding their excited state dynamics becomes important. Among all the aza-base, 8-azaguanine… read more here.
Keywords: excited state; water complex; hydrogen atom; state dynamics ... See more keywords
Effect of water and ammonia on the HO + NH3 → NH2 + H2O reaction in troposphere: Competition between single and double hydrogen atom transfer pathways
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112747
Abstract: Abstract A comprehensive investigation of the roles of H2O and NH3 on the HO + NH3 → NH2 + H2O reaction in the troposphere has been carried out by CCSD(T)-F12a/cc-pVDZ-F12//M06-2X/6–311+G(2d,2p) method, and the canonical variational transition state theory with small curvature… read more here.
Keywords: h2o reaction; hydrogen atom; nh3 nh2; reaction troposphere ... See more keywords
Photoinduced reversible isomerization of 9H-fluorene into 1H-fluorene by means of hydrogen-atom migration and the lowest electronically excited triplet state studied by matrix-isolation FTIR spectroscopy
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DOI: 10.1016/j.cplett.2018.11.011
Abstract: Abstract Photoinduced reversible intramolecular hydrogen-atom migration between 9H-fluorene and 1H-fluorene isolated in an Ar matrix is found by FTIR spectroscopy with an aid of DFT calculation. The forward isomerization from 9H-fluorene to 1H-fluorene occurs upon… read more here.
Keywords: fluorene; spectroscopy; hydrogen atom; fluorene fluorene ... See more keywords