Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective

ISBN-13: 9780521831284 / Angielski / Twarda / 2005 / 760 str.

Frank Weinhold; Clark R. Landis

Opis

This textbook develops the foundations of Lewis- and Pauling-like localized structural and hybridization concepts to present the first modernized overview of chemical valency and bonding theory. Directly based on current computational technology, it serves as both a general textbook exposition of modern Lewis, hybridization, and resonance concepts and a comprehensive compilation of NBO-based bonding descriptors--for prototype molecular and supramolecular organic and inorganic species.

Recenzje

'The authors are clearly leaders in the field. ... the book is well-written with vast numbers of illustrations as well as very useful worked examples. The impressive level of detail for individual systems can sometimes mask the underlying story, but salvation usually comes in the form of incisive summaries at the end of various major sections. This graduate-level book will be particularly useful to those who wish to understand NBO-based arguments presented in the literature and it is likely to be an invaluable resource for anyone who runs, or wishes to run, NBO analysis for themselves.' Chemistry World

Spis treści

Part I. Introduction and Theoretical Background: 1. The Schrödinger equation and models of chemistry; 2. Hydrogen atom orbitals; 3. Many-electron systems; 4. Perturbation theory for orbitals in the Hartree-Fock framework: the donor-acceptor paradigm; 5. Density matrices, natural localized and delocalized orbitals and the Lewis structure picture; 6. Natural resonance structures and weightings; 7. Pauli exchange antisymmetry and steric repulsions; 8. Summary; Part II. Electrostatic and Ionic Bonding: 9. Introduction; 10. Atomic and ionic orbitals; 11. Charge transfer and hybridization changes in ionic bonding; 12. Donor-acceptor theory of hybridization changes in ionic bonding; 13. Ionic/covalent transitions; 14. Ion-dipole and dipole-dipole bonding; 15. Beta ionic compounds of heavy alkaline earths; 16. Ionic bonding in D-block elements; 17. Summary; Part III. Molecular Bonding in the S/P-Block Elements: 18. Introduction; 19. Covalent and polar covalent bonding; 20. Conjugation and aromaticity; 21. Hyperconjugation; 22. Hypervalency; 23. Hypovalency; 24. Summary; Part IV. Molecular Bonding in the D-Block Elements: 25. Introduction; 26. Lewis-like structures for the D-block; 27. Hybridization and molecular shape; 28. Covalent and polar covalent bonding; 29. Coordinative metal-ligand bonding; 30. Hypervalent bonding; 31. Hypovalency and agostic interactions; 32. Conjugative and hyperconjugative effects; 33. Multi-electron coordination; 34. Vertical trends in transition metal bonding; 35. Summary; Part V. Supramolecular Bonding: 36. Introductory overview of intermolecular forces; 37. Hydrogen bonding; 38. Charge transfer complexes; 39. Transition state species; 40. Coupling of intra- and intermolecular interactions; 41. Summary; Appendices.