The goal of this project is to build upon previous studies of group IV metal halide complexes (e.g. CH3CN-SiF4) which were found to change structure when their chemical environment is altered (e.g. gas phase vs solid). The general focus of this study is to explore the effect of replacing a halogen with an organic, carbon-based group (e.g. GeF4 vs GeF3CH3) and assess the effect on overall reactivity. This presentation will focus on results for germanium-based acids and complexes formed with nitrogen donors (e.g. NH3, C5H5N), H3N-GeF3CH3 and C5H5N-GeCl4in particular. Computational models provide structural properties, the key features being length and strength of the Ge-N bonds, and whether they include one or two nitrogen donor units. Ultimately, we want to determine if these systems change geometry significantly as a function of physical state as is the case for previously studied complexes such as CH3CN-BF3 and (FCH2CN)2-GeF4. We can determine this by first using computations to map the energy of the complex as a function of N-Ge distance (both in the gas phase and in simulated solvents). We confirm the computational predictions by exploring the bulk reactivity of the various acid-base combinations and recording infrared spectra of the resulting solids.
