Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis explores triel and their compounds, providing a detailed analysis of their molecular and electronic structures, areas often disputed and controversial. It offers a comprehensive description and explanation, emphasizing the unique differences between boron and heavier triel atoms. Key sections cover theoretical foundations, types of interactions, and examples of triel bonds and their characteristics. Additionally, the book highlights triel elements functioning as catalysts and boron compounds in hydrogen storage. Designed for advanced students and researchers in physical or theoretical/computational chemistry, it will also interest organic and inorganic chemists.
Compounds of boron and other triel centres have been the subject of numerous studies for a long time, with their properties well-known and frequently discussed. However, the more detailed characteristics of triel compounds have not been well analyzed in existing research and their molecular and electronic structures have often been the subject of dispute and controversy. Triel bonds as a thematic area have garnered significant interest in recent years and this book provides a much broader description and explanation of their properties and characteristics than has previously been available, discussing aspects which are unique to triel bonds such as the differences between boron and the heavier triel atoms.
Part I Theoretical approaches
1. Determining the strength of intermolecular interactions
2. Symmetry-adapted perturbation theory as a tool for studying triel-bonded intermolecular complexes
3. Insightful correlations between QTAIM parameters and the relative strength of noncovalent interactions
4. Electrostatic Potentials and σ-Hole and π-Holes: A Historical Perspective
5. Various theoretical approaches to analyse different kinds of interactions
6. The effect of Halogen Atoms, Neutral and anion Lewis Bases on the formation of triel-bond
Part 2 Types of interactions, classifications
7. A Cartography of Named Supramolecular Interactions
8. Exploring triel bonding interactions: from fundamentals to applications
9. A Theoretical Journey Delving Into Triel Bonding: Anomalies and Interpretations
Part 3 Triel bonds, different types
10. On the Evolution of Local Positive Potentials on Trivalent Group 13 Atomic Centers and their Utility in the Ouroboric Cyclization of Heteroorganic Chains
11. Triel Bonding in Thallium Compounds: Insights from X-ray Crystallography and Density Functional Theory
12. Charge-inverted hydrogen bonds
13. From localized to fully delocalized electrons: a theoretical investigation of boron cluster solvated by ammonia
14. Triel bonding in coordination chemistry
15. Triels and alkaline-earths strengthen ties: compounds and clusters between electron deficient elements
16. Anionic Systems Containing Triel Atoms as Lewis Acids Involved in Anion···Anion and Anion···Neutral Triel Bonds
17. Sequestration and activation of CO2 by intramolecular Frustrated Lewis Pairs
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