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Related Concept Videos

Properties of Organometallic Compounds01:23

Properties of Organometallic Compounds

Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
Metallic Solids02:37

Metallic Solids

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. Many...
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
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...
Bonding in Metals02:32

Bonding in Metals

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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...
Properties of Transition Metals02:58

Properties of Transition Metals

Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.

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Related Experiment Video

Updated: Jul 14, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

Metal-organic frameworks: structural, energetic, electronic, and mechanical properties.

A Kuc1, A Enyashin, G Seifert

  • 1Physikalische Chemie, Technische Universitaet Dresden, D-01062 Dresden, Germany.

The Journal of Physical Chemistry. B
|June 26, 2007
PubMed
Summary

Metal-organic frameworks (MOFs) exhibit tunable mechanical and electronic properties based on linker size. These stable materials function as semiconductors or insulators, with band gaps influenced by linker molecules.

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Last Updated: Jul 14, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
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Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

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Synthesis and Characterization of Functionalized Metal-organic Frameworks

Published on: September 5, 2014

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
05:26

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks

Published on: February 10, 2023

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Solid-State Physics

Background:

  • Metal-organic frameworks (MOFs) are advanced porous materials with tunable structures.
  • Understanding their properties is crucial for developing new applications.

Purpose of the Study:

  • To systematically investigate the structural, energetic, electronic, and mechanical properties of a series of MOFs.
  • To explore the relationship between linker size and material characteristics.

Main Methods:

  • Density functional based tight-binding (DFTB) method was employed for theoretical calculations.
  • A series of MOFs with cubic arrays of Zn(4)O(CO2)6 units and various organic linkers were modeled.

Main Results:

  • The studied MOFs demonstrated stability, with bulk moduli ranging from 0.5 to 24 GPa, decreasing with linker size.
  • All MOFs were found to be semiconductors or insulators with band gaps between 1.0 and 5.5 eV.
  • Band gaps are primarily dictated by the highest occupied molecular orbital-lowest unoccupied molecular orbital gaps of the organic linkers.
  • Atomic charges remained consistent between free building blocks and solid MOF structures.

Conclusions:

  • Linker size is a critical factor in determining the mechanical stability and electronic properties of these MOFs.
  • The DFTB method provides a reliable approach for predicting MOF properties.
  • These findings contribute to the rational design of MOFs for specific applications.