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Steel sections can be joined together through various fastening techniques including riveting, bolting, and welding, each suitable for different structural requirements and conditions.
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One of the common methods to prepare nitriles is the dehydration of amides. This method requires strong dehydrating agents like phosphorous pentoxide or boiling acetic anhydride for converting amides to nitriles. Another reagent namely, thionyl chloride also accomplishes the dehydration of amides, where amide acts as a nucleophile. The first step of the mechanism involves the nucleophilic attack by the amide on the thionyl chloride to form an intermediate. In the next step, the electron pairs...
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The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
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Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
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Facet-to-facet Linking of Shape-anisotropic Colloidal Cadmium Chalcogenide Nanostructures
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Strategy for chemically riveting catenated nitrogen chains.

Xianfeng Wei1, Ruihao Wang2, Min Liu2

  • 1Co-Innovation Center for New Energetic Materials, Southwest University of Science and Technology, Mianyang, 621010, Sichuan, China. unoqwei@126.com.

Journal of Molecular Modeling
|November 16, 2019
PubMed
Summary
This summary is machine-generated.

Chemically riveting unstable catenated nitrogen chains (CNCs) with specific groups enhances their stability. This strategy stabilizes high-energy, novel all-nitrogen materials for practical applications.

Keywords:
Catenated nitrogen chainsbond orderfrontier orbitalmolecular geometrymolecular stabilitynatural bond orbital charge

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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Inorganic Chemistry

Background:

  • Catenated nitrogen chains (CNCs) are novel, high-energy precursors for all-nitrogen materials.
  • Pure CNCs exhibit instability under ambient conditions, limiting their practical use.
  • Chemical riveting stabilizes CNCs by integrating them into larger molecular structures.

Purpose of the Study:

  • To systematically analyze and compare the stability of pure and riveted CNCs.
  • To identify factors influencing CNC stability, such as lone-pair repulsion.
  • To propose a strategy for creating stable CNC-contained compounds.

Main Methods:

  • Computational analysis of molecular geometry, bond order, natural bond orbital charge, and frontier orbitals.
  • Comparison of pure CNCs (Nx, Nx-, Nx+, NxHy) with experimentally studied riveted CNCs.
  • Evaluation of lone-pair repulsion and its effect on molecular stability.

Main Results:

  • Lone-pair repulsion between adjacent nitrogen atoms is a key factor in CNC instability.
  • Ring-based riveted CNCs demonstrate greater stability than open-chain structures.
  • Lower standard deviation in bond orders/lengths correlates with higher molecular stability.

Conclusions:

  • Electron-donating groups, specific electronegativity ranges, and empty orbitals can act as effective rivets.
  • Proposed riveting strategy stabilizes CNCs by trapping lone pairs.
  • This approach facilitates the development of stable, high-energy, structurally novel nitrogen materials.