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Showing 1 to 3 of 3 for “"Newman-Kwart"”.
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Combined Application of Density Functional Theory and Molecular Mechanics Sampling Techniques to study Chemical Systems, from Intramolecular Rearrangements to Polymerization Reactions
… In chapter 2, the mechanistic details of Newman-Kwart rearrangement under oxidative conditions is explored using DFT, and using theoretical predictions, modifications to the Newman-Kwart substrate are proposed to increase reactivity. In chapter 3, a combination of MM sampling methods and …
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Brønsted Acid Catalyzed Carbon-Carbon Bond Forming Reactions
… <p>The implementation of Newman-Kwart rearrangement afforded desired mono-protic BINOL based sulfonic acid was successfully performed. This will be followed by evaluating sulfonic acid catalytic efficiencies towards asymmetric coupling reactions.</p> <p>The total synthesis …
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Synthesis, Characterization, and Mixed-Valence Studies of Conformationally Constrained Bisferrocenyl Complexes for the Study of Through-Space S***π; Interactions
… as confirmed by X-ray crystallography. Attempted Newman-Kwart rearrangement of 1, 8-dibromoanthracen-9-yl) dimethylcarbamothioate afforded no significant observed product formation, and decomposition of starting materials when heated for extended times. 1,8-bisferrocenyl-9-(methoxy)anthracene was …