Direct Crystallographic Observation of CO<sub>2</sub> Captured in Zig Zag Channels of a Copper(I) Metal–Organic Framework
Reece G. Miller, Mark R. Warren, David R. Allan, Sally Brooker
Abstract
Single crystal X-ray diffraction has been used to study the CO2 absorption sites in a microporous Cu-MOF, [CuI2(py-pzpypz)2(μ-CN)2]n (1) (where py-pzpypz = 4-(4-pyridyl)-2,5-dipyrazyl-pyridine), which features zigzag-shaped channels, at a range of CO2 pressures (1, 5, and 10 bar) and at two temperatures (240 and 298 K). Unlike the acetonitrile molecules in the as-synthesized MOF, 1·MeCN, the CO2 molecules in 1·nCO2 (n = 0.8, 0.7, 0.45) are preferentially centered on the vertices of each zig and zag, which allows for weak (azine) C–H···OCO interactions with the H atoms on the electron-deficient pyrazine and pyridine rings of the MOF.
Topics & Concepts
ChemistryCopperZigzagMetalCrystallographyInorganic chemistryOrganic chemistryGeometryMathematicsMetal-Organic Frameworks: Synthesis and ApplicationsIonic liquids properties and applicationsCO2 Reduction Techniques and Catalysts