Browsing Honors College by Author "Sargent, Andrew"
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A Computational Analysis of the Hydroacylation of Aldimines in the Presence of a Wilkinson's Catalyst
Moller, Alison (East Carolina University, 2019-05-14)A computational mechanistic study was performed to elucidate a feasible minimum energy pathway of a multistep hydroacylation reaction in which an aldimine combines with styrene in the presence of Wilkinson’s catalyst to ... -
DIVERGENT MECHANISTIC PATHWAYS IN A METAL-CATALYZED HYDROACYLATION REACTION, AND THE ROLE PLAYED BY A HEMILABILE P-O-P LIGAND
Bolger, Emily (East Carolina University, 2017-05-03)The project described here involves a computational mechanistic analysis of an intermolecular hydroacylation reaction with an alkene and a beta-S-substituted aldehyde. Two products are formed in the reaction, a ketone and ... -
Mechanism of a Metal Catalyzed Reaction from a Computational Quantum Mechanical Perspective
Mcpherson, Kate Ellen (East Carolina University, 2016-05-02)A recent study reported an innovative approach to the synthesis of the pharmaceutical drug, Clinprost. The authors found that the introduction of a palladium catalyst into the reaction scheme helped reduce the overall ... -
The Role of Tryptophan and Its Derivatives in Elucidating A PCET Mechanism in the Model Protein Azurin
Long, Hanna LK (East Carolina University, 2021-04-23)The role and properties of electron-rich tyrosine in the proton-coupled electron transport (PCET) pathway has been extensively studied, specifically relating to ribonucleotide reductase. Tryptophan is another electron-rich ...