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Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements.

Antonio Bauzá1, Ibon Alkorta2, José Elguero2

  • 1Departament de Química, Universitat de les Illes Balears, Crta de Valldemossa km 7.5, 07122, Palma, de Mallorca (Baleares, Spain.

Angewandte Chemie (International Ed. in English)
|June 17, 2020
PubMed
Summary

A new spodium (Sp) bond, a noncovalent interaction between Group 12 elements and electron-rich atoms, is introduced. This distinct bond type is supported by computational and structural evidence.

Keywords:
ab initio calculationsdonor-acceptor systemsnon-covalent bondingspodium bondssupramolecular chemistry

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Area of Science:

  • Inorganic Chemistry
  • Computational Chemistry
  • Solid-State Chemistry

Background:

  • Group 12 elements (e.g., zinc, cadmium, mercury) exhibit unique bonding characteristics.
  • Distinguishing noncovalent interactions from traditional coordination bonds is crucial for understanding chemical behavior.

Purpose of the Study:

  • To propose and define a new type of chemical bond termed the spodium (Sp) bond.
  • To differentiate Sp bonds from coordination bonds based on electronic structure and interaction type.

Main Methods:

  • High-level quantum chemical calculations using RI-MP2/aug-cc-pVTZ.
  • Atoms-in-molecules (AIM) and Natural Bond Orbital (NBO) analyses.
  • Examination of solid-state structures from the Cambridge Structural Database (CSD).

Main Results:

  • Evidence supporting a net attractive interaction between Group 12 elements and Lewis bases/anions.
  • Demonstration that Sp bonds involve different orbital interactions compared to coordination bonds.
  • Identification of potential Sp bonds in existing solid-state structural data.

Conclusions:

  • The spodium (Sp) bond represents a distinct class of noncovalent interaction involving Group 12 elements.
  • This interaction plays a role in the chemistry and structural organization of Group 12 compounds.
  • Further investigation into Sp bonds can refine our understanding of chemical bonding.