2016
Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi‐carbon Compounds
Lakkaraju P, Askerka M, Beyer H, Ryan C, Dobbins T, Bennett C, Kaczur J, Batista V. Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi‐carbon Compounds. ChemCatChem 2016, 8: 3453-3457. DOI: 10.1002/cctc.201600765.Peer-Reviewed Original ResearchMulti-carbon compoundsDensity functional theory calculationsSelective catalytic conversionIndustrial-scale synthesisFunctional theory calculationsChain reaction mechanismCatalytic performanceIon catalystAlkali formateIon catalysisConversion of formateBond formationCatalytic conversionQuantitative conversionIon intermediateReaction conditionsRaman spectroscopyTheory calculationsReaction mechanismCatalytic mechanismSodium hydrideOxalate saltsSodium formateFormateEfficient conversion
2012
Synthesis and computational studies of Mg complexes supported by 2,2′:6,2′′-terpyridine ligands
Guard LM, Palma JL, Stratton WP, Allen LJ, Brudvig GW, Crabtree RH, Batista VS, Hazari N. Synthesis and computational studies of Mg complexes supported by 2,2′:6,2′′-terpyridine ligands. Dalton Transactions 2012, 41: 8098-8110. PMID: 22430933, DOI: 10.1039/c2dt12426b.Peer-Reviewed Original ResearchGrignard reagentsTerpyridine ligandTridentate nitrogen ligandsDiethyl etherX-ray crystallographyDialkyl speciesTerpy ligandFree terpyridinesNitrogen ligandsAlkyl complexesAlkyl speciesCoordination planeNitrogen donorsDFT studySteric bulkTerpyridineCompounds 5aReaction conditionsMg complexesSimilar reactionComputational studyOnly productLigandsMixed halidesReagents