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Hydrogen Bonds01:04

Hydrogen Bonds

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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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sp3d and sp3d 2 Hybridization
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¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

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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...
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Molecular Orbital Energy Diagrams
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Spin–Spin Coupling Constant: Overview01:08

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In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
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Valence Bond Theory02:45

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Overview of Valence Bond Theory
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Updated: Jul 30, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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Stabilizing hydrogen-mediated sextuple bonds by quintuple superatomic bonding and a bond.

Dan Li1, Longjiu Cheng1,2

  • 1Department of Chemistry, Anhui University, Hefei, 230601, China.

Nanoscale
|May 15, 2023
PubMed
Summary

Researchers propose a new superatomic bonding model for bridging hydride compounds. This model enables the prediction and potential synthesis of stable molecules featuring unprecedented sextuple bonding under normal conditions.

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Area of Science:

  • Inorganic Chemistry
  • Computational Chemistry
  • Quantum Chemistry

Background:

  • D-block elements commonly exhibit multiple bond orders up to five.
  • Sextuple bonding (2σ, 2π, 2δ) in diatomic molecules like Cr2, Mo2, and W2 is unstable, typically confined to gas phases due to σ-orbital repulsion.

Purpose of the Study:

  • To propose a superatomic bonding model for bridging hydride compounds.
  • To theoretically predict novel compounds with high bond orders, including stable sextuple bonds.

Main Methods:

  • Theoretical prediction of bridging hydride species.
  • Analysis of electronic structure and bonding using a superatomic model.
  • Molecular dynamics simulations to assess thermal stability.

Main Results:

  • Prediction of four unprecedented quintuple bridging hydride species.
  • Identification of two species, [(Cp)2Ti2(μ-H)5]- and [(Cp)2V2(μ-H)5]+, exhibiting stable hydrogen-mediated sextuple bonding.
  • Demonstration that the superatomic σs bond disperses outward, reducing inner electron density and facilitating bonding.

Conclusions:

  • The proposed superatomic bonding model successfully describes bridging hydride compounds.
  • Stable hydrogen-mediated sextuple bonding is achievable in synthesized molecules.
  • These findings offer a strategy for synthesizing molecules with sextuple bonds under ambient experimental conditions.