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Conformational Analysis and Absolute Configuration Determination of Some Organic and Coordination Chemistry Compounds Using Chiroptical Spectroscopy and DFT calculations
DownloadSpring 2015
My PhD thesis projects revolve around three main parts, namely synthesis, conformational analysis, and absolute configuration determination of a number of chiral Schiff base ligands and axial chiral binaphthyl type ligands or molecules and some of their transition metal complexes in solution. To...
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Conformations of, and Non-covalent Interactions in, binary fluoroalcohol∙∙∙1,4-dioxane aggregates: Rotational Spectroscopic and DFT studies
DownloadFall 2022
Conformations of, and non-covalent interactions in, binary aggregates of 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and 1-phenyl-2,2,2-trilfuoroethanol (PhTFE) with 1,4-dioxane were investigated. These fluoroalcohols and 1,4-dioxane are common solvents for organic reactions. Rotational spectra of...
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The Influence of High Temperature Pyrolysis Melt and Lignin on Cellulose Pyrolysis Chemistry: A First-principles based Investigation
DownloadFall 2023
Lignocellulosic biomass pyrolysis for biofuel production shows potential but is challenged with issues of bio-oil instability and low yield. To address these challenges, a bottom-up approach integrating reaction chemistry and transport within biomass particle during pyrolysis is crucial for...