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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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Crystal Field Theory - Octahedral Complexes02:58

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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...
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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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Coordination Compounds and Nomenclature02:54

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In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
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Intermolecular Forces03:13

Intermolecular Forces

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Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
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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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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Does H3O+ Really Act as a Ligand in the Solid State?

Allan G Blackman1, Rebecca E Jelley2, Elizabeth H Krenske3

  • 1Department of Chemistry, Centre for Biomedical and Chemical Sciences, School of Science, Auckland University of Technology, Private Bag 92006, Auckland 1142, New Zealand.

Inorganic Chemistry
|August 23, 2021
PubMed
Summary
This summary is machine-generated.

This study critically examines metal complexes with hydronium (H₃O⁺) ligands. Evidence suggests reported hydronium complexes are likely curation errors or misinterpretations, not genuine metal-bound H₃O⁺ species.

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Computational Chemistry

Background:

  • The existence of metal complexes featuring hydronium (H₃O⁺) as a ligand in the solid state has been proposed.
  • Numerous examples have been reported in crystallographic databases, involving various metal ions.

Purpose of the Study:

  • To critically evaluate the evidence for metal complexes containing H₃O⁺ as a ligand.
  • To determine if reported H₃O⁺ metal complexes are unequivocally characterized.

Main Methods:

  • Systematic review of 68 examples from the Cambridge Structural Database.
  • Critical appraisal of crystallographic data for purported H₃O⁺ metal complexes.
  • Application of computational techniques to analyze selected complex structures.

Main Results:

  • None of the examined H₃O⁺ metal complexes were unequivocally characterized.
  • Reported instances are attributed to curation errors or misinterpretations of crystallographic data.
  • Computational analysis indicated that purported H₃O⁺ complexes are better described as aqua complexes with protonation on the amine ligand.

Conclusions:

  • The existence of solid-state metal complexes with H₃O⁺ as a direct ligand is unsubstantiated by current evidence.
  • Re-evaluation of crystallographic data and computational studies are crucial for accurate structural determination.
  • Protonation on ancillary ligands, such as amines in azacryptands, is a more plausible explanation for observed structures.