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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…
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Keywords:
iii;
electronic steric;
iii catalysis;
catalysis ... See more keywords
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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,…
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Keywords:
steric effects;
crossover behavior;
electronic steric;
cpr 2mn ... See more keywords
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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…
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Keywords:
oxygen evolution;
single atoms;
tuning electronic;
interface ... See more keywords
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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…
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Keywords:
impact bis;
bis nhc;
electronic steric;
steric impact ... See more keywords
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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...
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Keywords:
steric effects;
competitive electronic;
spin state;
state modulation ... See more keywords