A microscopic approach to the problem of charge transfer-induced spin transitions in a system of interacting trinuclear Fe-Co-Fe clusters, which takes into account the switching of polarization during the transformation Fe-Co-Fe→ Fe-Co-Fe (ls-low spin, hs-high spin), has been developed. The cooperative electron-deformational and dipole-dipole interactions and the intracluster electron transfer have been proved to govern the observed significant changes in the magnetic and polarization characteristics of the examined system. The role of intra- and intercluster interactions in the spin transformation has been elucidated. On the basis of the developed approach, an explanation of the temperature dependence of the magnetic susceptibility and of the polar-nonpolar transformation in the {[FeTp(CN)]Co(Meim)}·6HO compound in response to thermal stimuli has been given.
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http://dx.doi.org/10.1021/acs.jpca.0c01717 | DOI Listing |
J Am Chem Soc
January 2025
Division of Chemistry and Chemical Engineering, California Institute of Technology (Caltech), Pasadena, California 91125, United States.
Samarium diiodide (SmI) exhibits high selectivity for NR catalyzed by molybdenum complexes; however, it has so far been employed only as a stoichiometric reagent (0.3 equiv of NH per Sm) combined with coordinating proton sources (e.g.
View Article and Find Full Text PDFChem Commun (Camb)
January 2025
Key Laboratory of Functional Membrane Material and Membrane Technology, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, 189 Songling Road, Qingdao, 266101, China.
In traditional binary heterojunction catalysts, mismatched energy band structures lead to higher electron transfer barriers. By reducing the work function difference a ternary Ru-RuS/MoS heterostructure, we developed a HER catalyst with remarkable activity (17 mV@10 mA cm) and excellent stability (300 h@500 mA cm).
View Article and Find Full Text PDFBiol Cell
January 2025
CRBM (Centre de Recherche en Biologie cellulaire de Montpellier), BIOLuM, University of Montpellier, CNRS UMR 5237, Montpellier, France.
Flotillin 1 and 2 are highly conserved and homologous members of the stomatin, prohibitin, flotillin, HflK/C (SPFH) family. These ubiquitous proteins assemble into hetero-oligomers at the cytoplasmic membrane in sphingolipid-enriched domains. Flotillins play crucial roles in various cellular processes, likely by concentrating sphingosine.
View Article and Find Full Text PDFChem Sci
January 2025
Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University Suzhou Jiangsu 215123 China
Understanding the oxygen reduction reaction (ORR) mechanism and accurately characterizing the reaction interface are essential for improving fuel cell efficiency. We developed an active learning framework combining machine learning force fields and enhanced sampling to explore the dynamics and kinetics of the ORR on Fe-N/C using a fully explicit solvent model. Different possible reaction paths have been explored and the O adsorption process is confirmed as the rate-determining step of the ORR at the Fe-N/C-water interface, which needs to overcome a free energy barrier of 0.
View Article and Find Full Text PDFChem Sci
January 2025
Chemistry and Physics of Materials Unit, School of Advanced Materials (SAMat), Jawaharlal Nehru Centre for Advanced Scientific Research Jakkur Bangalore 560064 India https://www.jncasr.ac.in/faculty/tmaji.
Coordination-driven metallo-supramolecular polymers hold significant potential as highly efficient catalysts for photocatalytic CO reduction, owing to the covalent integration of the light harvesting unit, catalytic center and intrinsic hierarchical nanostructures. In this study, we present the synthesis, characterization, and gelation behaviour of a novel low molecular weight gelator (LMWG) integrating a benzo[1,2-:4,5-']dithiophene core with terpyridine (TPY) units alkyl amide chains (TPY-BDT). The two TPY ends of the TPY-BDT unit efficiently chelate with metal ions, enabling the formation of a metallo-supramolecular polymer that brings together the catalytic center and a photosensitizer in close proximity, maximizing catalytic efficiency for CO reduction.
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