Design and optimization of catalysts based on mechanistic insights derived from quantum chemical reaction modeling

S Ahn, M Hong, M Sundararajan, DH Ess… - Chemical …, 2019 - ACS Publications
Until recently, computational tools were mainly used to explain chemical reactions after
experimental results were obtained. With the rapid development of software and hardware …

Synergy between metals for small molecule activation: Enzymes and bio-inspired complexes

AC Ghosh, C Duboc, M Gennari - Coordination Chemistry Reviews, 2021 - Elsevier
Transition metal-driven small molecule activation is essential for the production of fuels and
chemicals or energy supply. The use of multimetallic catalysts, where two or more metal …

Mechanisms of catalytic reduction of CO 2 with heme and nonheme metal complexes

S Fukuzumi, YM Lee, HS Ahn, W Nam - Chemical science, 2018 - pubs.rsc.org
The catalytic conversion of CO2 into valuable chemicals and fuels has attracted increasing
attention, providing a promising route for mitigating the greenhouse effect of CO2 and also …

Recent advances in pincer–nickel catalyzed reactions

V Arora, H Narjinari, PG Nandi, A Kumar - Dalton Transactions, 2021 - pubs.rsc.org
Organometallic catalysts have played a key role in accomplishing numerous synthetically
valuable organic transformations that are either otherwise not possible or inefficient. The use …

Small Molecule Activation at the acriPNP Pincer-Supported Nickel Sites

S Park, K Lee, S Padmanaban… - Accounts of Chemical …, 2024 - ACS Publications
Conspectus Nickel pincer systems have recently attracted much attention for applications in
various organometallic reactions and catalysis involving small molecule activation. Their …

Experimental electrochemical potentials of nickel complexes

Q Lin, G Dawson, T Diao - Synlett, 2021 - thieme-connect.com
Nickel-catalyzed cross-coupling and photoredox catalytic reactions has found widespread
utilities in organic synthesis. Redox processes are key intermediate steps in many catalytic …

Nitrate Upcycling Mediated by Organonickel Catalysis

S Padmanaban, J Chun, Y Lee, KB Cho… - Angewandte …, 2024 - Wiley Online Library
Nitrogen oxides (NOx) are major environmental pollutants and to neutralize this long‐term
environmental threat, new catalytic methods are needed. Although there are biological …

Reaction intermediates in artificial photosynthesis with molecular catalysts

YH Hong, YM Lee, W Nam, S Fukuzumi - ACS Catalysis, 2022 - ACS Publications
In nature, water oxidation is catalyzed by Mn4Ca clusters in the oxygen-evolving complex
(OEC) of photosystem II (PSII), in which a manganese (V)-oxo species acts as an active …

Lewis Acid Enhancement of Proton Induced CO2 Cleavage: Bond Weakening and Ligand Residence Time Effects

JA Buss, DG VanderVelde… - Journal of the American …, 2018 - ACS Publications
Though Lewis acids (LAs) have been shown to have profound effects on carbon dioxide
(CO2) reduction catalysis, the underlying cause of the improved reactivity remains unclear …

Cleavage of Carbon Dioxide C= O Bond Promoted by Nickel‐Boron Cooperativity in a PBP‐Ni Complex

L Álvarez‐Rodríguez, P Ríos… - Angewandte …, 2023 - Wiley Online Library
The synthesis and characterization of (tBuPBP) Ni (OAc)(5) by insertion of carbon dioxide
into the Ni− C bond of (tBuPBP) NiMe (1) is presented. An unexpected CO2 cleavage …