DOI
https://doi.org/10.25772/7KFF-6D85
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