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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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To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
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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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Spin–Spin Coupling: One-Bond Coupling01:17

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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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All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
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Tetrahedral Complexes
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Updated: Jul 19, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Rh19-: A high-spin super-octahedron cluster.

Yuhan Jia1,2, Cong-Qiao Xu3, Chaonan Cui1

  • 1Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

Science Advances
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Summary

Researchers discovered a stable magic-number rhodium cluster (Rh19-) with unique magnetic properties. This finding challenges traditional cluster stability theories and opens doors for spintronics and quantum computing applications.

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Area of Science:

  • Cluster Science
  • Materials Science
  • Quantum Physics

Background:

  • Magic numbers in atomic clusters signify enhanced stability, typically due to combined geometric and electronic shell closures.
  • Transition metal clusters often deviate from these simple rules, presenting unique stability challenges.

Purpose of the Study:

  • To identify and characterize a novel magic-number cluster of rhodium (Rh19-).
  • To elucidate the structural, electronic, and magnetic properties contributing to its unusual stability.
  • To explore potential applications in advanced technologies.

Main Methods:

  • Photoelectron spectroscopy was employed to probe the cluster's electronic structure.
  • Global-minimum structure searches were conducted to determine its geometric configuration.
  • Gas-collision reactions were used to assess the cluster's inertness and stability.

Main Results:

  • A magic-number cluster, Rh19-, exhibiting remarkable inertness in gas-collision reactions was identified.
  • The cluster's geometry was determined to be a regular O-[Rh@Rh12@Rh6]- with an unusual high-spin electronic configuration.
  • Exceptional electron-spin state isomers were confirmed, indicating altered magnetism and electronic properties compared to bulk rhodium.

Conclusions:

  • The stability of the Rh19- cluster is attributed to its unique bonding and superatomic electronic states, defying conventional cluster stability models.
  • This 1-nanometer-sized cluster, a fragment of face-centered cubic rhodium, possesses distinct magnetic and electronic characteristics.
  • The findings suggest potential applications for Rh19- in spintronics and quantum computing, particularly in atomically precise manufacturing.