Direct Crystallographic Observation of CO2 Captured in Zig Zag Channels of a Copper(I) Metal-Organic Framework
Reece G Miller1, Mark R Warren2, David R Allan2
1Department of Chemistry and MacDiarmid Institute for Advanced Materials and Nanotechnology, University of Otago, PO Box 56, Dunedin 9054, New Zealand.
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] (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· (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.
More Related Videos
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:18X-ray Crystallography
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
02:37Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
02:42Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
02:51Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...