Defense Date

2014

Document Type

Thesis

Degree Name

Master of Science

Department

Physics and Applied Physics

First Advisor

Purusottam Jena

Abstract

Organic molecules are known for their stability due to aromaticity. Superhalogens, on the other hand, are highly reactive anions, whose electron affinity is larger than that of chlorine. This thesis, using first principles calculations, explores possible methods for creation of superhalogen aromatic molecules while attempting to also develop a fundamental understanding of the physical properties behind their creation. The first method studied uses anionic cyclopentadienyl and enhances its electron affinity through ligand substitution or ring annulation in combination with core substitutions. The second method studies the possibilities of using benzene, which has a negative electron affinity (EA), as a core to attain similar results. These cases resulted in EAs of 5.59 eV and 5.87 eV respectively, showing that aromaticity rule can be used to create strong anionic organic molecules. These studies will hopefully lead to new advances in the development of organic based technology.

Rights

© The Author

Is Part Of

VCU University Archives

Is Part Of

VCU Theses and Dissertations

Date of Submission

May 2014

Included in

Physics Commons

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