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Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
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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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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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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.
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Structural evolution and metallicity of lead clusters.

Daniel A Götz1, Armin Shayeghi, Roy L Johnston

  • 1Eduard-Zintl-Institut, Technische Universität Darmstadt, Alarich-Weiss-Straße 8, 64287 Darmstadt, Germany. goetz@cluster.pc.chemie.tu-darmstadt.de.

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Lead clusters (PbN) up to 36 atoms show non-metallic properties, challenging previous assumptions about metallic state evolution. Molecular beam studies and quantum chemical calculations reveal their unique electronic and structural characteristics.

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Area of Science:

  • * Atomic and Molecular Physics
  • * Quantum Chemistry
  • * Materials Science

Background:

  • * The transition from non-metallic to metallic behavior in atomic clusters is a fundamental topic in condensed matter physics.
  • * Lead (Pb) clusters are of particular interest due to relativistic effects influencing their electronic structure.
  • * Previous studies have yielded conflicting results regarding the metallicity of lead clusters.

Purpose of the Study:

  • * To investigate the electronic and structural properties of neutral lead clusters (PbN, N = 19-25, 31, 36, 54).
  • * To determine the point at which lead clusters exhibit metallic characteristics.
  • * To elucidate the structural implications associated with the electronic state of lead clusters.

Main Methods:

  • * Molecular beam electric deflection experiments were conducted on neutral lead clusters.
  • * Quantum chemical calculations, including density functional theory (DFT) and two-component DFT with spin-orbit effects, were employed.
  • * Time-dependent DFT was used to calculate energy gaps, compared with Kubo gaps as indicators of metallicity.

Main Results:

  • * Many studied lead clusters exhibited dipole moments or anomalous polarizability, suggesting a non-metallic state.
  • * Calculated geometries and dielectric properties were used to simulate and match experimental beam deflection profiles.
  • * Experimental and theoretical data consistently indicate that lead clusters remain non-metallic up to at least 36 atoms.

Conclusions:

  • * Lead clusters (PbN) do not display metallic behavior for N up to 36.
  • * The electronic structure and resulting properties are significantly influenced by spin-orbit effects.
  • * The findings contribute to understanding the evolution of the metallic state in finite systems.