Graduation Term

Summer 2026

Degree Name

Master of Science (MS)

Department

Department of Chemistry

Committee Chair

Gregory M. Ferrence

Committee Member

Christopher Hamaker

Committee Member

Patrick Hillesheim

Abstract

Understanding the factors that govern molecular assembly is fundamental in both coordination chemistry and crystal engineering. This thesis investigates these processes through two studies that employ single-crystal X-ray diffraction to elucidate the structural principles underlying the formation of multinuclear metal complexes and the crystal packing of quasiracemates.

The first study examines the unexpected formation of multinuclear metal complexes. Structural characterization of a series of dysprosium complexes was used to compare molecular architectures and identify structural relationships that support a proposed pathway of formation. These findings shed insight into the assembly process that may have lead to their formation.

The second study explores the influence of halogen substituents on the crystal packing of a series chiral Schiff bases, through the formation of enantiopure, racemic, and quasiracemic crystals. Crystal structures of the quasiracemates were compared to those of their enantiopure components, revealing the intermolecular interactions governing crystal. Some quasiracemates are found to be isostructural despite differences in halogen substituent, while others took on unique packing arrangements. In the case of most of the cocrystals, the assembly of molecules was dictated by intermolecular X···π interactions that were, in most cases, absent in the corresponding enantiopure structures. This demonstrated that the introduction of opposite enantiomers to form a cocrystal can substantially alter intermolecular interactions and subsequently, crystal packing arrangements.

Access Type

Thesis-Open Access

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