Publication | Closed Access
C–C coupling at a zeolite-supported Rh(<scp>i</scp>) complex. DFT search for the mechanism
12
Citations
45
References
2019
Year
EngineeringTheoretical Inorganic ChemistryOrganometallic ElectrochemistryDft SearchComputational ChemistryChemistryElectronic StructureSpectra-structure CorrelationZeolite-supported RhZeoliteBiophysicsInorganic ChemistryPhysical ChemistryFaujasite-supported RhMetallacycle MechanismExperimental SelectivityQuantum ChemistryNatural SciencesCoordination ComplexApplied Physics
DFT modelling suggests a metallacycle mechanism for the dimerization of ethene over a faujasite-supported Rh(<sc>i</sc>) complex, rationalizing the experimental selectivity.
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