Thermodynamic and kinetic hydricities of metal-free hydrides
Metal-free hydrides are of increasing research interest due to their roles in recent scientific
advances in catalysis, such as hydrogen activation with frustrated Lewis pairs and …
advances in catalysis, such as hydrogen activation with frustrated Lewis pairs and …
Using Light and Electrons to Bend Carbon Dioxide: Developing and Understanding Catalysts for CO2 Conversion to Fuels and Feedstocks
KY Cohen, R Evans, S Dulovic… - Accounts of chemical …, 2022 - ACS Publications
Conspectus Our global society generates an unwieldy amount of CO2 per unit time.
Therefore, the capture of this greenhouse gas must involve a diverse set of strategies. One …
Therefore, the capture of this greenhouse gas must involve a diverse set of strategies. One …
Roles of iron complexes in catalytic radical alkene cross-coupling: a computational and mechanistic study
D Kim, SMW Rahaman, BQ Mercado… - Journal of the …, 2019 - ACS Publications
A growing and useful class of alkene coupling reactions involve hydrogen atom transfer
(HAT) from a metal-hydride species to an alkene to form a free radical, which is responsible …
(HAT) from a metal-hydride species to an alkene to form a free radical, which is responsible …
Correlating Thermodynamic and Kinetic Hydricities of Rhenium Hydrides
MR Espinosa, MZ Ertem, M Barakat… - Journal of the …, 2022 - ACS Publications
The kinetics of hydride transfer from Re (Rbpy)(CO) 3H (bpy= 4, 4′-R-2, 2′-bipyridine; R=
OMe, tBu, Me, H, Br, COOMe, CF3) to CO2 and seven different cationic N-heterocycles were …
OMe, tBu, Me, H, Br, COOMe, CF3) to CO2 and seven different cationic N-heterocycles were …
Benzimidazoles as Metal-Free and Recyclable Hydrides for CO2 Reduction to Formate
We report a novel metal-free chemical reduction of CO2 by a recyclable benzimidazole-
based organo-hydride, whose choice was guided by quantum chemical calculations …
based organo-hydride, whose choice was guided by quantum chemical calculations …
Quantification of the Hydride Donor Abilities of NADH, NADPH, and BH 3 CN− in Water
The nucleophilic reactivities of the hydride donors NADH, NADPH, and BH3CN− in water
were quantified using kinetic measurements with benzhydrylium ions as reference …
were quantified using kinetic measurements with benzhydrylium ions as reference …
Importance of proton-coupled electron transfer in cathodic regeneration of organic hydrides
Electrochemical regeneration of organic hydrides is often hindered by the rapid dimerization
of organic radicals produced as the first intermediates of these electrochemical …
of organic radicals produced as the first intermediates of these electrochemical …
Dichotomous Si–H bond activation by alkoxide and alcohol in base-catalyzed dehydrocoupling of silanes
ED Voronova, IE Golub, A Pavlov, NV Belkova… - Inorganic …, 2020 - ACS Publications
The activation of silanes in dehydrogenative coupling with alcohols under general base
catalysis was studied experimentally (using multinuclear NMR, IR, and UV–visible …
catalysis was studied experimentally (using multinuclear NMR, IR, and UV–visible …
Flavonoids as selective chemosensor for formic acid over ammonia; A DFT study
In the present study, structural and chemical properties of two flavonoid compounds,
Apigenin and Kaempferol are examined using density functional theory (DFT). The structural …
Apigenin and Kaempferol are examined using density functional theory (DFT). The structural …
Renewable Hydride Donors for the Catalytic Reduction of CO2: A Thermodynamic and Kinetic Study
Increasing atmospheric CO2 concentration and dwindling fossil fuel supply necessitate the
search for efficient methods for CO2 conversion to fuels. Assorted studies have shown …
search for efficient methods for CO2 conversion to fuels. Assorted studies have shown …