Theoretical and Physical Chemistry of Triel Bonding

Properties, Mechanisms, and Catalysis
Erscheinungsjahr 2025
ISBN: 978-0-443-33403-0
Verlag: Elsevier Science & Technology

Buch, Englisch, Format (B × H): 191 mm x 235 mm

The triel elements are those of group 13 of the periodic table, including boron. 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. The book features four main sections, looking at the theoretical foundations, then the types of interactions, before moving onto the main section demonstrating key examples of triel bonds as well as their characteristics. The concluding section then provides illustrative examples of triel elements functioning as catalysts and boron compounds in hydrogen storage. Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis is written primarily for advanced undergraduate and graduate students and researchers in physical or theoretical/computational chemistry who may be working on intermolecular interactions and in the field of catalysis. It is also likely to be of interest to organic and inorganic chemists and relevant to those in molecular engineering, nanotechnology, and molecular biology.

Autoren/Hrsg.

Grabowski, Slawomir Janusz

Fachgebiete

• Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Verfahrenstechnik, Chemieingenieurwesen
• Mathematik | Informatik EDV | Informatik Business Application Unternehmenssoftware
• Wirtschaftswissenschaften Betriebswirtschaft Unternehmensforschung
• Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik
• Naturwissenschaften Chemie Physikalische Chemie

Inhaltsverzeichnis

Part I Theoretical approaches
1. Ab initio and DFT calculations
2. Quantum Theory of Atoms in Molecules
3. Natural Bond Orbital Method
4. Noncovalent Interactions approach

Part II Types of interactions
5. Inter and intramolecular Interactions - classifications
6. Valence Shell Electron Pair Repulsion model and types of interactions
7. s-hole and p-hole concept and corresponding interactions

Part III Triel bonds
8. Characteristics of triel bond
9. Triel bonding in coordination chemistry
10. Boron analogues of carbones
11. Exploring non-covalenttriel bonding interactions in organoboron compounds: from fundamentals to applications
12. Specific interactions of boron centre
13. The triel bonding effect of halogen atoms: neutral and anion Lewis Bases
14. Anionic systems containing triel atom involved in triel bonds
15. CO2 with frustrated Lewis pairs, the role of boron centres

Part IV Triel compounds in catalysis and other chemical processes
16. Boron centres in catalysis
17. The characterization of coordinate aluminium neutral and cationic centres
18. The boron compounds and the hydrogen storage
19. The coordination of Ga, In and Tl centres and their role in catalysis General summary and perspectives

Über Autor(innen)

Grabowski, Slawomir Janusz
Slawomir 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 Lódz, 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).