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Aamy A. Bakry

Date of Award

2024

Document Type

Restricted Thesis: Campus only access

Degree Name

Bachelor of Science

Department

Biochemistry & Molecular Biol.

First Advisor

Dr. Carol A. Parish

Second Advisor

Dr. Kelling Donald

Abstract

Metallatranes and their analogous fused ring [3.3.0] bicyclic compounds, quasimetallatranes, have emerged as fascinating molecular systems with intriguing structural, bonding, and conformational properties. In this thesis, we present a comprehensive investigation aimed at unraveling the nature of dative bonding interactions and exploring the conformational flexibility of these compounds. By employing a combination of computational modeling techniques, we extensively characterized the dative bond between the metal center and the electron pair donor. Our analyses involved bond length measurements, molecular orbital examinations, and covalency ratio calculations, providing a deep understanding of the bonding interactions in these systems. The results confirmed the presence of dative bonds, supported by the close proximity between the metal and the electron-donating group and the observation of electron density interactions. Furthermore, our studies revealed a correlation between the size of the electron-donating group and the coordinating metal, influencing the conformational preferences adopted by the compounds. This investigation sheds light on the fundamental aspects of metallatranes and the fused ring [3.3.0]bicyclic compounds, offering valuable insights into their unique properties and paving the way for future research and potential applications in various fields, including catalysis, materials science, and supramolecular chemistry.

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