2021
Selective Heterogeneous Transfer Hydrogenation from Tertiary Amines to Alkynes
Roeder G, Kelly H, Yang G, Bauer T, Haller G, Batista V, Baráth E. Selective Heterogeneous Transfer Hydrogenation from Tertiary Amines to Alkynes. ACS Catalysis 2021, 11: 5405-5415. DOI: 10.1021/acscatal.0c05186.Peer-Reviewed Original ResearchPt/CPd/CTertiary aminesHydrogenation mechanismDensity functional theory calculationsTransfer hydrogenation reactionHydrogen transfer reactionsNoble metal surfacesFunctional theory calculationsTransfer hydrogenation mechanismHigh rate constantsAmine partnersHydrogenation reactionsTransfer hydrogenationCis selectivityNoble metalsH-donorN-diisopropylethylamineTransfer reactionsSurface coverageTheory calculationsAlkynesMetal surfaceSubstituted alkanesInert conditions
2016
Surface-Induced Anisotropic Binding of a Rhenium CO2‑Reduction Catalyst on Rutile TiO2(110) Surfaces
Ge A, Rudshteyn B, Psciuk B, Xiao D, Song J, Anfuso C, Ricks A, Batista V, Lian T. Surface-Induced Anisotropic Binding of a Rhenium CO2‑Reduction Catalyst on Rutile TiO2(110) Surfaces. The Journal Of Physical Chemistry C 2016, 120: 20970-20977. DOI: 10.1021/acs.jpcc.6b03165.Peer-Reviewed Original ResearchVibrational sum frequency generation spectroscopySum frequency generation spectroscopyCO2 reduction catalystsDensity functional theory levelFrequency generation spectroscopyHigh surface coverageProper hydrogen bondingHydrogen bondingCarboxylate groupsSingle-crystalline TiO2Water moleculesGeneration spectroscopyTheory levelSurface coverageSFG intensityOptical anisotropyIsotropic distributionAnisotropic distributionRing angleCatalystNearest-neighbor effectsMoleculesPlane rotationSurfaceTilt angle