Identification of the reaction parameters that most strongly influence the formation of organically templated metal oxides is critical for the introduction of rationality in their syntheses.  Exploration of NaVO3 / Na2TeO3 / amine systems has afford direct observation of the several influences, including reactant concentrations, charge density matching between the inorganic and organic components, and amine symmetry and hydrogen-bonding properties.  Composition space analysis was used to probe the role of reactant concentrations in product stabilities.  Electron localization functions were calculated to determine the location of tellurite lone pairs, which were included in surface area calculations.  Partial atomic charges were determined using iterative-Hirshfeld techniques.  Analysis of the of NaVO3 / Na2TeO3 / amine reactions in the context of these reaction parameters allows for a deeper understanding of the vanadium tellurite structures present in a range of compounds.

Understanding the formation of organically templated vanadium tellurites

244th National Meeting (2012)

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