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Zinc-Zinc Double Bonds: A Theoretical Study.

Jorge Echeverría1, Andrés Falceto1, Santiago Alvarez1

  • 1Department de Química Inorgànica i Orgànica, Secció de Química Inorgànica, Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès, 1-11, 08028, Barcelona, Spain.

Angewandte Chemie (International Ed. in English)
|June 10, 2017
PubMed
Summary

Researchers explored the potential for zero-valent zinc to form Zn=Zn double bonds, a novel bonding type. Computational studies were used to identify complexes that could exhibit this unique chemical bond.

Keywords:
density functional calculationsdouble bondsmetal-metal bondingzinc

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Area of Science:

  • Inorganic Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Double bonds are well-established for transition metals (Groups 9-10) and p-block elements (Groups 14-16).
  • Zinc (Zn) is notably absent from elements with characterized double bonds.
  • Qualitative reasoning suggests zero-valent zinc could form Zn=Zn double bonds.

Purpose of the Study:

  • To investigate the theoretical possibility of Zn=Zn double bonds.
  • To computationally search for chemical complexes exhibiting this novel bonding.

Main Methods:

  • Utilized computational chemistry methods.
  • Performed theoretical studies to analyze bonding characteristics.

Main Results:

  • Identified potential for zero-valent zinc to form double bonds.
  • Presented a computational framework for discovering such complexes.

Conclusions:

  • Zero-valent zinc holds theoretical potential for forming Zn=Zn double bonds.
  • Computational studies are key to discovering new bonding types in elements like zinc.