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Triple-bond covalent radii.

Pekka Pyykkö1, Sebastian Riedel, Michael Patzschke

  • 1Department of Chemistry, University of Helsinki, Finland. Pekka.Pyykko@helsinki.fi

Chemistry (Weinheim an Der Bergstrasse, Germany)
|April 16, 2005
PubMed
Summary
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A new system of additive covalent radii is proposed for sigma(2) pi(4) triple bonds, covering elements Be to E 112. This study refines understanding of multiple bonding across the periodic table.

Area of Science:

  • Chemical bonding theories
  • Atomic radii
  • Periodic trends

Background:

  • Understanding covalent radii is crucial for predicting molecular geometry and reactivity.
  • Existing models may not fully capture the nuances of multiple bonding across a wide range of elements.

Purpose of the Study:

  • To propose a comprehensive system of additive covalent radii for sigma(2) pi(4) triple bonds.
  • To include elements from Beryllium (Be) to Eka-mercury (element 112).
  • To address borderline cases with weak multiple bonding.

Main Methods:

  • Development of an additive covalent radii system.
  • Inclusion of data points for 324 elements and bonding configurations.
  • Exclusion of specific groups (Group 1, Zn-Hg, Ne) and gaps for actinides/lanthanides.

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Main Results:

  • A proposed system of additive covalent radii for triple bonds.
  • A standard deviation of 3.2 pm for the 324 included data points.
  • Identification of excluded elements and gaps in coverage.

Conclusions:

  • The proposed system provides a valuable tool for studying triple bonds.
  • The radii system offers insights into the electronic structure of elements Be to 112.
  • Further refinement may be needed for actinides and lanthanides.