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Structural Isomerism02:34

Structural Isomerism

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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
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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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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
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Crystal Field Theory
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CFT focuses on...
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A Structurally Characterized Cobalt(I) σ-Alkane Complex.

Timothy M Boyd1,2, Bengt E Tegner3, Graham J Tizzard4

  • 1Chemistry Research Laboratories, Department of Chemistry, University of Oxford, Oxford, OX1 3TA, UK.

Angewandte Chemie (International Ed. in English)
|January 17, 2020
PubMed
Summary
This summary is machine-generated.

This study reports a novel cobalt σ-alkane complex synthesized via solid/gas hydrogenation. Magnetic and computational analyses reveal weak C-H→Co interactions and a η¹:η¹-alkane binding mode.

Keywords:
X-ray diffractionalkane complexescobaltperiodic density functional theorysingle crystals

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Area of Science:

  • Organometallic Chemistry
  • Inorganic Chemistry
  • Solid-State Chemistry

Background:

  • Cobalt complexes are crucial in catalysis and materials science.
  • Understanding σ-alkane interactions is key to C-H activation mechanisms.
  • Novel synthetic routes for organometallic complexes are continuously sought.

Purpose of the Study:

  • To synthesize and characterize a novel cobalt σ-alkane complex.
  • To investigate the electronic structure and bonding in the complex.
  • To determine the binding mode of the alkane ligand.

Main Methods:

  • Single-crystal to single-crystal solid/gas hydrogenation.
  • X-ray crystallography for structural determination.
  • Magnetic susceptibility measurements.
  • Periodic Density Functional Theory (DFT) and electronic structure calculations.

Main Results:

  • A cobalt σ-alkane complex, [Co(Cy₂P(CH₂)₄PCy₂)(norbornane)][BArF₄], was successfully synthesized.
  • X-ray crystallography confirmed the complex's structure.
  • Magnetic data indicated a triplet ground state for the complex.
  • DFT calculations revealed weak C-H→Co σ-interactions and dispersive stabilization.
  • The alkane ligand adopts a η¹:η¹ binding mode.

Conclusions:

  • The study presents a new method for synthesizing cobalt σ-alkane complexes.
  • Weak C-H→Co interactions and dispersive forces play significant roles in stabilizing the complex.
  • The findings provide insights into the nature of σ-alkane coordination in transition metal complexes.