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Metallic Solids02:37

Metallic Solids

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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....
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Valence Bond Theory02:42

Valence Bond Theory

9.0K
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...
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Coordination Number and Geometry02:57

Coordination Number and Geometry

16.4K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
16.4K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

9.8K
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...
9.8K
Ionic Crystal Structures02:42

Ionic Crystal Structures

14.6K
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...
14.6K
Colors and Magnetism03:02

Colors and Magnetism

12.2K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
12.2K

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Updated: Aug 15, 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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Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au).

José Solar-Encinas1, Alejandro Vásquez-Espinal2, Luis Leyva-Parra1

  • 1Programa de Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andrés Bello, Av. República 275, Santiago 8370146, Chile.

Molecules (Basel, Switzerland)
|January 8, 2023
PubMed
Summary

The study reveals that M3B12 (metal-Boron) clusters form unique planar structures. These metal-Boron clusters exhibit aromaticity due to strong electrostatic interactions and delocalized bonding.

Keywords:
DFT computationsaromaticityboron clusterschemical bondinggroup 11 metalspotential energy surface

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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Nanotechnology

Background:

  • Boron clusters (B12) typically favor 3D structures.
  • Planar B12 structures are energetically unfavorable in isolation.
  • Metal-Boron clusters offer unique chemical properties.

Purpose of the Study:

  • To determine the global minimum energy structures of M3B12 clusters (M = Cu-Au).
  • To investigate the structural and electronic properties of these novel metal-Boron species.
  • To understand the bonding mechanisms stabilizing the observed structures.

Main Methods:

  • Genetic algorithms for potential energy surface screening.
  • Density functional theory (DFT) calculations for structure optimization and analysis.
  • Chemical bonding analysis to elucidate interaction types.

Main Results:

  • Global minima feature an elongated planar B12 fragment linked by a linear M3 metal fragment.
  • The planar B12 structure, usually disfavored, is stabilized by metal interactions.
  • Strong electrostatic interactions and delocalized π-bonds contribute to stability.
  • M3B12 clusters exhibit aromatic character.

Conclusions:

  • M3B12 clusters adopt unexpected planar geometries stabilized by metal-Boron interactions.
  • These findings challenge previous understanding of boron cluster structures.
  • The observed aromaticity opens new avenues for designing novel materials.