Electroreductive Cross-Coupling Reactions: Carboxylation, Deuteration, and Alkylation

P Li, Y Wang, H Zhao, Y Qiu - Accounts of Chemical Research, 2024 - ACS Publications
Conspectus Electrochemistry has been used as a tool to drive chemical reactions for more
than two centuries. With the help of an electrode and a power source, chemists are provided …

Ionization potential-based design of deep eutectic solvent for recycling of spent lithium ion batteries

Y Hua, Y Sun, F Yan, S Wang, Z Xu, B Zhao… - Chemical Engineering …, 2022 - Elsevier
Deep eutectic solvent (DES) is becoming an important alternative for green and high
efficient recycling of spent lithium ion batteries (LIBs). In this study, we proposed a simple …

Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands

P Wang, G Liang, MR Reddy, M Long… - Journal of the …, 2018 - ACS Publications
Structural modifications of molecular cobalt catalysts have provided important insights into
the structure–function relationship for the hydrogen evolution reaction. We have shown that …

Development of an improved system for the carboxylation of aryl halides through mechanistic studies

DJ Charboneau, GW Brudvig, N Hazari, HMC Lant… - ACS …, 2019 - ACS Publications
The nickel-catalyzed carboxylation of organic halides or pseudohalides using carbon
dioxide is an emerging method to prepare synthetically valuable carboxylic acids. Here, we …

Revealing the interfacial phenomenon of metal-hydride formation and spillover effect on C48H16 sheet by platinum metal catalyst (Pt (n= 1-4)) for hydrogen storage …

M Subramani, D Arumugam, S Ramasamy - International Journal of …, 2023 - Elsevier
Hydrogen is a worldwide green energy carrier, however due its low storage capacity, it has
yet to be widely used as an energy carrier. Therefore, the quantum chemical method is …

Tunable Metal‐Free Imidazole‐Benzimidazole Electrocatalysts for Oxygen Reduction in Aqueous Solutions

N Tanjedrew, K Thammanatpong… - … A European Journal, 2024 - Wiley Online Library
A series of metal‐free imidazole‐benzimidazole catalysts (ImBenz‐H, ImBenz‐NO2, ImBenz‐
OCH3) for oxygen reduction reaction (ORR) were prepared. We demonstrate that the …

Improving the photocatalytic hydrogen generation using nonaggregated zinc phthalocyanines

E Genc Acar, AC Yuzer, G Kurtay… - ACS Applied Energy …, 2021 - ACS Publications
In comparison to traditional solar cells, the dye-sensitized photocatalytic system is one of the
most appealing artificial photosynthesis mechanisms due to its low cost and straightforward …

Density Functional Theory‐Based Protocol to Calculate the Redox Potentials of First‐row Transition Metal Complexes for Aqueous Redox Targeting Flow Batteries

N Rahbani, P de Silva, E Baudrin - ChemSusChem, 2023 - Wiley Online Library
Transition metal complexes are a promising class of redox mediators for targeting redox flow
batteries due to the tunability of their electrochemical potentials. However, reliable time …

Ionization energy and reduction potential in ferrocene derivatives: comparison of hybrid and pure DFT functionals

M Toma, T Kuvek, V Vrček - The Journal of Physical Chemistry A, 2020 - ACS Publications
Hybrid density functionals have been regularly applied in state-of-the-art computational
models for predicting reduction potentials. Benchmark calculations of the absolute reduction …

Electronic effect of ligands vs. reduction potentials of Fischer carbene complexes of chromium: a molecular electrostatic potential analysis

BA Anjali, CH Suresh - New Journal of Chemistry, 2018 - pubs.rsc.org
Transition metal Fischer carbene complexes have ample applications in chemistry owing to
their attractive redox properties which are highly sensitive to the electronic effect of ligands …