Physical Sciences and Mathematics Commons^™

Hydrogen Storage And Carbon Dioxide Capture In An Iron-Based Sodalite-Type Metal-Organic Framework (Fe-Btt) Discovered Via High-Throughput Methods, Kenji Sumida, Satoshi Horike, Steven S. Kaye, Zoey R. Herm, Wendy L. Queen, Craig M. Brown, Fernande Grandjean, Gary J. Long, Anne M. Dailly, Jeffrey R. Long

Chemistry Faculty Research & Creative Works

Using high-throughput instrumentation to screen conditions, the reaction between FeCl₂ and H₃BTT·2HCl (BTT^3- = 1,3,5-benzenetristetrazolate) in a mixture of DMF and DMSO was found to afford Fe₃[(Fe₄Cl)₃(BTT)₈] ₂·22DMF·32DMSO·11H₂O. This compound adopts a porous three-dimensional framework structure consisting of square [Fe₄Cl]⁷⁺ units linked via triangular BTT^3- bridging ligands to give an anionic 3,8-net. Mössbauer spectroscopy carried out on a DMF-solvated version of the material indicated the framework to contain high-spin Fe²⁺ with a distribution of local environments and confirmed the presence …