Linear Free Energy Relationships Associated with Hydride Transfer From [(6,6′‑R2‑bpy)Re(CO)3H]: A Cautionary Tale in Identifying Hydrogen Bonding Effects in the Secondary Coordination Sphere
Elsby M, Kumar A, Daniels L, Ertem M, Hazari N, Mercado B, Paulus A. Linear Free Energy Relationships Associated with Hydride Transfer From [(6,6′‑R2‑bpy)Re(CO)3H]: A Cautionary Tale in Identifying Hydrogen Bonding Effects in the Secondary Coordination Sphere. Inorganic Chemistry 2024, 63: 19396-19407. PMID: 39344157, DOI: 10.1021/acs.inorgchem.4c03365.Peer-Reviewed Original ResearchLinear free energy relationshipBpy ligandsThermodynamic hydricitiesHydrogen bondsMetal coordination planeRhenium hydride complexesSolid-state structuresExperimentally determined rate constantsSecondary coordination sphereHydrogen bonding effectsFree energy relationshipX-ray crystallographyDetermined rate constantsHydride complexesKinetic hydricityThermodynamic hydricityCoordination sphereFormate speciesNitrogen donorsTransition stateEnergy relationshipHydride transferFormate complexBpyRate constantsLong-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes
Alvarez-Hernandez J, Zhang X, Cui K, Deziel A, Hammes-Schiffer S, Hazari N, Piekut N, Zhong M. Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes. Chemical Science 2024, 15: 6800-6815. PMID: 38725508, PMCID: PMC11077573, DOI: 10.1039/d3sc06177a.Peer-Reviewed Original ResearchAza-crown ethersLewis acidAnodic shiftPorphyrin complexesRedox propertiesLong-range electrostatic effectsDensity functional theory calculationsElectrostatic effectsLewis acid bindingCobalt porphyrin complexesMetal aqua complexesPrimary coordination sphereCo II ionsFunctional theory calculationsCoordination sphereReduction electrocatalystsLi +NMR spectroscopyEther groupsCompounds 1Theory calculationsRedox chemistryII ionsBinding constantsReduction potential