Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis: Theoretical and Computational Chemistry, cartea 23
Editat de Slawomir Janusz Grabowskien Limba Engleză Paperback – sep 2025
- Novel, much-needed single resource and overview for the field of triel bonding, addressing the steady growth in interest in the topic and lack of existing dedicated book literature
- Provides clear definitions and description of triel bonds, with presentation of their characteristics and the use of various theoretical approaches for them
- Includes numerous examples of triel interactions taken from crystal structures and from theoretical ab initio and DFT calculations
- Provides illustrative examples of triel elements functioning as catalysts and boron compounds as featured in hydrogen storage
- Editor Sławomir Janusz Grabowski has made pivotal and highly cited contributions to the study of triel elements
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Specificații
ISBN-13: 9780443334030
ISBN-10: 044333403X
Pagini: 480
Dimensiuni: 191 x 235 mm
Editura: ELSEVIER SCIENCE
Seria Theoretical and Computational Chemistry
ISBN-10: 044333403X
Pagini: 480
Dimensiuni: 191 x 235 mm
Editura: ELSEVIER SCIENCE
Seria Theoretical and Computational Chemistry
Cuprins
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
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