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Related Concept Videos

Metallic Solids02:37

Metallic Solids

19.9K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
19.9K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

28.7K
Crystal Field Theory
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...
28.7K
Ionic Crystal Structures02:42

Ionic Crystal Structures

16.0K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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...
16.0K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

10.6K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
10.6K
Valence Bond Theory02:42

Valence Bond Theory

10.0K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
10.0K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

45.8K
Tetrahedral 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,...
45.8K

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Author Spotlight: Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers
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Mixed hierarchical local structure in a disordered metal-organic framework.

Adam F Sapnik1, Irene Bechis2, Sean M Collins1,3

  • 1Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, UK.

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|April 7, 2021
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Advanced electron microscopy and computational modeling reveal the nanocomposite structure of amorphous iron 3-benzene-1,3,5-tricarboxylate (Fe-BTC) MOFs, paving the way for discovering new functional materials.

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Area of Science:

  • Materials Science
  • Chemistry
  • Nanotechnology

Background:

  • Amorphous metal-organic frameworks (MOFs) are promising materials with diverse catalytic applications.
  • Structural characterization of amorphous MOFs, like iron 3-benzene-1,3,5-tricarboxylate (Fe-BTC), is challenging due to their disordered nature.

Purpose of the Study:

  • To elucidate the complex structure of amorphous Fe-BTC and its commercial form, Basolite® F300.
  • To demonstrate a novel computational approach for modeling amorphous MOFs.

Main Methods:

  • Utilized advanced electron microscopy to identify nanocomposite structures.
  • Employed synchrotron total scattering measurements to determine local atomic order.
  • Applied a polymerization-based algorithm to generate atomistic models of Fe-BTC.

Main Results:

  • Identified a nanocomposite structure in Fe-BTC with nanocrystalline domains within an amorphous matrix.
  • Revealed varying degrees of short- and medium-range atomic order in Fe-BTC and Basolite® F300.
  • Successfully generated the first atomistic model for amorphous Fe-BTC outside zeolitic imidazolate frameworks.

Conclusions:

  • The developed computational method is applicable to other amorphous MOF systems.
  • Structural insights into Fe-BTC and Basolite® F300 provide a foundation for understanding their catalytic properties.
  • This approach facilitates high-throughput computational discovery of functional amorphous MOFs.