Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis

by Slawomir Janusz Grabowski (Editor)

Overview

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.

Product Details

ISBN-13:	9780443334030
Publisher:	Elsevier Science
Publication date:	09/01/2025
Series:	Theoretical and Computational Chemistry , #23
Pages:	480
Product dimensions:	7.50(w) x 9.25(h) x (d)

About the Author

Sławomir Janusz Grabowski was born in Warsaw, Poland (1956) and received his M.Sc. degree (1981) and his Ph.D. (1986) at the University of Warsaw. He received his D.Sc. (habilitation, 1998) at the Technical University of Łódź, Poland. Currently he is employed as an Ikerbasque Research Professor at the University of the Basque Country, Spain. Dr. Grabowski has authored or co-authored over 200 papers, 13 book chapters and he has edited books on hydrogen bonding (Hydrogen Bonding – New Insights, Springer, Dordrecht 2006; Analysis of Hydrogen Bonds in Crystals, Printed Edition of the Special Issue Published in Crystals, MDPI, Basel-Beijing-Wuhan-Barcelona 2016). He is also an author of the book Understanding Hydrogen Bonds: Theoretical and Experimental Views, The Royal Chemical Society, 2021.

His work encompasses the analysis of hydrogen bonding, halogen bonding and the other Lewis acids – Lewis base interactions in the gas phase as well as in crystals. He is a member of the Editorial Boards of Crystals (as editor-in-chief of the section Interactions in Crystals, an MDPI journal), Journal of Physical Organic Chemistry and of Computational and Theoretical Chemistry as well as an ongoing reviewer in numerous physical chemistry and theoretical chemistry journals (40-50 reports a year).

Table of Contents

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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Provides a much broader description and explanation of triel bonds and their properties and characteristics