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Related Concept Videos

Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Drug-Receptor Bonds01:25

Drug-Receptor Bonds

Drug-receptor bonds are formed through various chemical forces when drugs interact with target cells. Covalent bonds, strong and irreversible, are exemplified by DNA-alkylating anticancer agents that inhibit cell division. However, such irreversible drug binding lacks selectivity and can modify the DNA of the surrounding healthy cells. Covalent binding often contributes to tissue toxicity, as seen with chloroform and paracetamol metabolites binding to the liver, causing hepatotoxicity.
In...
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...
Hydroboration-Oxidation of Alkenes03:08

Hydroboration-Oxidation of Alkenes

In addition to the oxymercuration–demercuration method, which converts the alkenes to alcohols with Markovnikov orientation, a complementary hydroboration-oxidation method yields the anti-Markovnikov product. The hydroboration reaction, discovered in 1959 by H.C. Brown, involves the addition of a B–H bond of borane to an alkene giving an organoborane intermediate. The oxidation of this intermediate with basic hydrogen peroxide forms an alcohol.
Lewis Acids and Bases02:16

Lewis Acids and Bases

This lesson delves into Lewis acids and bases in the context of the octet rule for electron-deficient compounds. Here, the concept is discussed, emphasizing the group 13 elements like boron or aluminium. Since group 13 elements possess three valence electrons, they form trivalent compounds with a sextet of electrons and a vacant orbital for the central atom. Consequently, these electron-deficient compounds accept electrons from other species to complete their octet in a chemical reaction. They...

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Synthesis of 1,2-Azaborines and the Preparation of Their Protein Complexes with T4 Lysozyme Mutants
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Donor-acceptor complexes of borazines.

Anna S Lisovenko1, Alexey Y Timoshkin

  • 1Inorganic Chemistry Group, Department of Chemistry, St. Petersburg State University, University Pr. 26, Old Peterhof, 198504, Russia.

Inorganic Chemistry
|October 23, 2010
PubMed
Summary

Donor-acceptor complexes with borazine (BZ) and Lewis acids are stable, enabling ternary complex formation. This significantly lowers the energy barrier for borazine hydrogenation, offering a new pathway for its activation.

Area of Science:

  • Computational chemistry
  • Inorganic chemistry
  • Materials science

Background:

  • Borazine (BZ) and its derivatives are inorganic analogs of benzene with potential applications.
  • Understanding the interaction of borazine with Lewis acids and bases is crucial for its reactivity.
  • Borazine's electronic properties differ significantly from benzene, impacting its complexation behavior.

Purpose of the Study:

  • To theoretically investigate the formation and stability of donor-acceptor complexes involving borazine.
  • To explore the influence of substituents on borazine complex stability.
  • To assess the impact of complex formation on borazine hydrogenation.

Main Methods:

  • Density Functional Theory (DFT) calculations using the B3LYP/TZVP level of theory.

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  • Analysis of donor-acceptor interactions with Lewis acids (e.g., AlCl3, GaBr3) and Lewis bases (e.g., NH3, Pyridine).
  • Thermodynamic and energetic evaluation of complex formation and reaction pathways.

    • Main Results:

    • Complexes of borazine with Lewis bases are unstable, while those with Lewis acids are stable.
    • Stable ternary complexes (D→BZ→A) can be formed by sequential addition of Lewis acid and base.
    • Substituents on the borazine ring have minimal impact on ternary complex stability due to compensation effects.
    • Borazine exhibits weaker acceptor properties than predicted due to high pyramidalization energy.
    • In contrast to borazine, benzene forms only weakly bound binary complexes and unbound ternary complexes.
    • Donor-acceptor complex formation significantly reduces the endothermicity and activation energy for borazine hydrogenation.

    Conclusions:

    • Ternary donor-acceptor complexes of borazine with Lewis acids and bases are stable and accessible.
    • Activation of borazine via Lewis acid complexation provides a facile route for hydrogenation.
    • This approach offers potential for developing new methods for borazine and polyborazine functionalization and application.