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Related Concept Videos

Valence Bond Theory02:45

Valence Bond Theory

Overview of Valence Bond Theory
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization
Valence Bond Theory02:42

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...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.

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Related Experiment Video

Updated: Jul 25, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Linear HThThH: a candidate for a Th-Th triple bond.

Michal Straka1, Pekka Pyykkö

  • 1Department of Chemistry, University of Helsinki, Finland. straka@chem.helsinki.fi

Journal of the American Chemical Society
|September 22, 2005
PubMed
Summary

Researchers calculated a linear HThThH structure, nearly matching its rhombic form. This structure features the first unsupported thorium-thorium triple bond, a significant finding in inorganic chemistry.

Area of Science:

  • Inorganic Chemistry
  • Computational Chemistry
  • Quantum Chemistry

Background:

  • Thorium chemistry is underexplored due to radioactivity and handling challenges.
  • Theoretical studies are crucial for predicting properties of novel thorium compounds.
  • Linear and rhombic structures are common motifs in inorganic complexes.

Purpose of the Study:

  • To investigate the stability and bonding of a novel linear HThThH structure.
  • To compare the energetic landscape of the linear HThThH structure with its rhombic isomer.
  • To identify and characterize the first unsupported thorium-thorium triple bond.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • Geometrical optimization and frequency analysis were performed.

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  • Natural Bond Orbital (NBO) analysis was used to probe bonding characteristics.

    • Main Results:

    • The linear HThThH structure was found to be energetically competitive with its rhombic counterpart.
    • A thorium-thorium triple bond was identified and characterized in the linear structure.
    • The calculated bond dissociation energy suggests a stable triple bond.

    Conclusions:

    • The HThThH molecule can exist in a stable linear configuration with a Th-Th triple bond.
    • This finding opens new avenues for exploring unusual bonding in heavy element chemistry.
    • Theoretical predictions provide a roadmap for potential experimental synthesis.