Aromatic sulfur-containing molecules are contaminants in hydrocarbon crude oil sources. Low-valent metal compounds have been shown to bind these molecules via adsorbtion processes, however little has effort has been invested in understanding the potential binding of these molecules to stronger Lewis acidic metal centers. Presented herein are the results of a combined computational (DFT) and experimental study in which we have examined the potential binding of aromatic sulfur-containing heterocycles to a variety of Lewis acidic metal centers. The results of this study help to highlight the similarities and differences in the Lewis basic properties of aromatic sulfur-containing molecules and their non-aromatic counterparts and ways that materials can be rationally designed to function as adsorbants for the removal of these compounds from petroleum products.

Exploring the binding of aromatic sulfur-containing heterocycles with Lewis acidic metal complexes

243rd National Meeting (2012)

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