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dc.contributor.authorAnand, Megha
dc.date.accessioned2016-08-23T04:30:11Z
dc.date.available2016-08-23T04:30:11Z
dc.date.issued2016-05
dc.identifier.otheranand_megha_201605_phd
dc.identifier.urihttp://purl.galileo.usg.edu/uga_etd/anand_megha_201605_phd
dc.identifier.urihttp://hdl.handle.net/10724/35533",
dc.description.abstractA wide variety of additives are frequently used in homogenous transition-metal catalyzed reactions, however, their role at the molecular level has not been well understood. An exhaustive mechanistic study has been done to find the plausible role of silver additives in seven different palladium catalyzed reactions by locating all conceivable transition states (both in the presence and the absence of additives) for the key steps of the reaction. The lower energy transition states display intermetallic Pd--Ag interaction with bridging ligands such as acetate, triflate, etc., bringing the two metals together. These results provide credence to existence of heterobimetallic (Pd--Ag) cooperativity in palladium catalyzed homogenous reactions with silver salts as additives.
dc.languageeng
dc.publisheruga
dc.rightsOn Campus Only Until 2018-05-01
dc.subjectC--H activation, Transition metal Catalysis
dc.subjectPalladium Acetate
dc.subjectAdditives
dc.subjectCooperativity
dc.subjectReaction mechanisms
dc.subjectTransition states
dc.titleTheoretical studies on the role of silver salt additives in palladium catalysis
dc.title.alternativeInsights on heterobimetallic cooperativity
dc.typeDissertation
dc.description.degreePhD
dc.description.departmentChemistry
dc.description.majorChemistry
dc.description.advisorHenry F. Schaefer, III
dc.description.committeeHenry F. Schaefer, III
dc.description.committeePaul Schleyer
dc.description.committeeEric Ferreira
dc.description.committeeShanta Dhar


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