There has been fundamental interest in cycloalkanes for decades from organic and physical chemists alike. Cyclopropane has been principally studied due to the molecules unique planar structure that lends itself to bond angle strain and reactivities not seen in the other cycloalkanes. However, it is not well known how symmetry, or lack thereof, affect the rotational and vibrational dynamics or the adsorbate film growth process from the monolayer to bulk behavior. This study investigates the effect of surface symmetry on the molecule conformation and configuration as well as the layering of adsorbed cyclopropane molecules for comparison with other small ring alkanes. High resolution volumetric isotherms have been employed to observe the thermodynamics of cyclopropane film growthon graphite (similar symmetries) and (100) MgO (dissimilar symmetries) over a range of temperatures near the triple point of c-propane (145.6K). The isotherms have been analyzed to obtain thermodynamic properties (heats of adsorption, isosteric heats, differential entropies and enthalpies) and possible phase transitions. Molecular dynamic simulations of mono-and multilayers of cyclopropane have been used to obtain binding energies, molecular trajectories,pair-correlation function, and Z-distribution of molecules from the surface. Future neutron diffraction studies and inelastic neutron scattering studies will be used to investigate the microstructure and molecular vibrations in the adsorbed layers

Cycloalkane adsorption on symmetry compatible and frustrated surfaces

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.