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Related Concept Videos

Metal-Ligand Bonds02:51

Metal-Ligand Bonds

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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...
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Complexation Equilibria: The Chelate Effect01:19

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In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
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Valence Bond Theory02:42

Valence Bond Theory

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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...
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Structural Isomerism02:34

Structural Isomerism

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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
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Formation of Complex Ions03:45

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A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
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Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

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In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
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Updated: Sep 11, 2025

Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
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Disentangling the Noncovalent Interactions That Drive Coinage Metal Cluster Dimerization.

Devesh Awasthi1, Marvin Friede2, Manasseh Kusi Osei1

  • 1Department of Chemistry, Rice University, Houston, Texas 77005-1892, United States.

The Journal of Physical Chemistry. A
|August 11, 2025
PubMed
Summary
This summary is machine-generated.

Coinage metal dimers form through synergistic noncovalent interactions, including dispersion, hydrogen bonding, and anagostic/metallophilic forces. These interactions strengthen from copper to gold, guiding precise supramolecular assembly.

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Area of Science:

  • Supramolecular Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Self-assembly is key to designing supramolecular materials.
  • Transition metals offer diverse interaction possibilities for chemical aggregates.
  • Understanding atomistic interactions is crucial for controlling self-assembly.

Purpose of the Study:

  • To experimentally isolate and characterize supramolecular dimeric clusters of tetranuclear coinage metals (Cu, Ag, Au).
  • To investigate the role of anagostic and metallophilic interactions in coinage metal dimer formation.
  • To quantify the contributions of various noncovalent interactions to dimerization.

Main Methods:

  • Experimental isolation of coinage metal dimeric clusters in the solid-state.
  • Quantum chemical investigations: Atoms-in-Molecules (AIM), Noncovalent Interaction (NCI), and Local Energy Decomposition (LED) analysis.
  • Proton NMR chemical shift calculations.

Main Results:

  • Supramolecular dimeric clusters with cofacial [M4]-[M4] arrangements and short metal-metal distances were isolated.
  • Anagostic and metallophilic interactions were identified, increasing in strength from Cu to Au.
  • Interligand dispersion (24-34 kcal/mol) was the dominant interaction driving dimerization, followed by hydrogen bonding, metallophilic, and anagostic interactions.

Conclusions:

  • Multiple weak noncovalent interactions synergistically drive the formation of strongly bound coinage metal dimers.
  • Anagostic and metallophilic interactions play a significant role, particularly in heavier coinage metals.
  • This study provides fundamental insights into the design principles for self-assembled supramolecular materials.