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The Isotopological Homodesmotic Reaction: A Further Refinement To The Quantification Of Aromaticity, Marco Olguin

Open Access Theses & Dissertations

Aromaticity imparts a significant energetic stabilization to various chemical systems as a result of cyclic pi-electron delocalization. One of the most widely used methods for the quantification of the Aromatic Stabilization Energy (ASE) of a molecule is the formulation of a Homodesmotic reaction. The following research employs a refined Homodesmotic approach based on previous work by Herndon and Mills which utilized Isotopological Homodesmotic Reactions (IHR) to determine the Aromatic Stabilization Energy (ASE) of a flourenyl cation. The advantage of employing an IHR for an ASE calculation is that the strain energy contribution from the sigma framework of reactant and product …