Electronic and Steric Tuning of Molecular Acidity toward Unified Models for Excited State Proton Transfer.
Sign Up to like & getrecommendations! Published in 2025 at "Advanced science"
DOI: 10.1002/advs.202517140
Abstract: Photoinduced proton transfer powers a myriad of functional processes from bioimaging to photocatalysis. However, the elusive structure‐photoacidity and thermodynamics‐kinetics relationships remain the hurdle for developing such useful tools. Herein, these problems are tackled by systematically… read more here.
Keywords: proton transfer; electronic steric; proton; excited state ... See more keywords
Recyclable Dynamic Covalent Networks Derived From Isocyanate Chemistry: the Critical Role of Electronic and Steric Effects in Reversibility.
Sign Up to like & getrecommendations! Published in 2025 at "ChemSusChem"
DOI: 10.1002/cssc.202500436
Abstract: The dynamic covalent networks (DCNs), featuring dynamic covalent bonds (DCBs) formed through isocyanate-involved chemistry, potentially contributes to a circular economy in polyurea and polyurethane industries, due to the inherent recyclability of DCNs. Over the past… read more here.
Keywords: chemistry; electronic steric; steric effects; dynamic covalent ... See more keywords
Electronic and Steric Tuning of a Prototypical Piano Stool Complex: Rh(III) Catalysis for C-H Functionalization.
Sign Up to like & getrecommendations! Published in 2018 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.7b00444
Abstract: The history of transition metal catalysis is heavily steeped in ligand design, clearly demonstrating the importance of this approach. The intimate relationship between metal and ligand can profoundly affect the outcome of a reaction, often… read more here.
Keywords: iii; electronic steric; iii catalysis; catalysis ... See more keywords
Electronic and Steric Control of the Spin-Crossover Behavior in [(CpR)2Mn] Manganocenes.
Sign Up to like & getrecommendations! Published in 2018 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b02592
Abstract: A computational study of the spin-crossover behavior in the family [(CpR)2Mn] (R = Me, iPr, tBu) is presented. Using the OPBE functional, the different electronic and steric effects over the metal's ligand field are studied,… read more here.
Keywords: steric effects; crossover behavior; electronic steric; cpr 2mn ... See more keywords
Tuning the Electronic and Steric Interaction at the Atomic Interface for Enhanced Oxygen Evolution.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c00533
Abstract: The two-dimensional surface or one-dimensional interface of heterogeneous catalysts is essential to determine the adsorption strengths and configurations of the reaction intermediates for desired activities. Recently, the development of single-atom catalysts has enabled an atomic-level… read more here.
Keywords: oxygen evolution; single atoms; tuning electronic; interface ... See more keywords
Electronic and steric impact of bis-NHC ligands on reactions of Pt3S2 cores in trinuclear complexes bearing bis-NHC ligands with various lengths of alkylene bridges.
Sign Up to like & getrecommendations! Published in 2021 at "Dalton transactions"
DOI: 10.1039/d1dt02747f
Abstract: Alkylene-bridged bis-N-heterocyclic carbene ligands working as strong σ-donors enhance the reactivity of the Pt3S2 core in a triplatinum complex. Although an Ag(I) ion possibly reacts with the Pt-Pt bond, one of the sulfide ligands coordinates… read more here.
Keywords: impact bis; bis nhc; electronic steric; steric impact ... See more keywords
Competitive electronic and steric effects in spin-state modulation of a 3D-Hofmann framework and its extension toward nanoscale
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Materials Chemistry C"
DOI: 10.1039/d3tc00064h
Abstract: Modulating the spin-crossover behaviour in porous coordination polymers is not only an excellent way to address the challenges associated with high-order data storage and processing, but the colour change involved... read more here.
Keywords: steric effects; competitive electronic; spin state; state modulation ... See more keywords
Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O2-Damaged [NiFeSe]-Hydrogenases’ Active Site
Sign Up to like & getrecommendations! Published in 2024 at "Inorganics"
DOI: 10.3390/inorganics12060163
Abstract: Hydrogen has the potential to serve as a new energy resource, reducing greenhouse gas emissions that contribute to climate change. Natural hydrogenases exhibit impressive catalytic abilities for hydrogen production, but they often lack oxygen tolerance.… read more here.
Keywords: damaged nifese; electronic steric; oxygen; active site ... See more keywords