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Related Concept Videos

Colors and Magnetism03:02

Colors and Magnetism

Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
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Valence Bond Theory

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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Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
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Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
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Related Experiment Video

Updated: Jun 12, 2026

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
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Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

Efficient spin filtering through cobalt-based extended metal atom chains.

Vihar P Georgiev1, John E McGrady

  • 1Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR, United Kingdom.

Inorganic Chemistry
|May 26, 2010
PubMed
Summary
This summary is machine-generated.

This study reveals that cobalt-based molecular wires exhibit high spin filtering efficiency over 90%. The unique electronic structure allows for robust spin filtering even at high applied voltages.

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Area of Science:

  • Materials Science
  • Quantum Chemistry
  • Condensed Matter Physics

Background:

  • Extended metal atom chains offer unique electronic properties for molecular electronics.
  • Understanding charge transport mechanisms is crucial for designing novel electronic devices.

Purpose of the Study:

  • To investigate charge transport and spin filtering in cobalt-based extended metal atom chains.
  • To explore the role of molecular orbitals in spin-dependent transport.

Main Methods:

  • Utilizing density functional theory (DFT) combined with nonequilibrium Green's functions (NEGF).
  • Analyzing the electronic structure and transport properties of Co(3)(dpa)(4)(NCS)(2).

Main Results:

  • The singly occupied sigma nonbonding orbital serves as the primary charge transport channel.
  • Achieved spin filtering efficiencies exceeding 90% for the cobalt chain.
  • Identified orthogonal pi orbitals at the gold electrode interface, minimizing rehybridization effects.

Conclusions:

  • The molecular structure enables highly efficient spin filtering.
  • Spin filtering remains effective even under high applied biases (>1 V) due to robust electronic decoupling.
  • These findings support the potential of such molecular systems in spintronic applications.