Valency and Bonding

Valency and Bonding
 
Author:
Frank Weinhold & Clark R. Landis
Publisher: Cambridge University Press
ISBN No: 978-0-511-11548-6
Release at: 2005
Pages: 761
Edition:
First Edition
File Size: 10 MB
File Type: pdf
Language: English



Description of Valency and Bonding


In identifying the features that distinguish this book from many predecessors, we do not attempt to conceal the enormous debt of inspiration owed to such classics as Pauling’s Nature of the Chemical Bond and Coulson’s Valence. We aspire neither to supplant these classics nor to alter substantially the concepts they expounded. Rather, our goal is to take a similarly global view, but develop a more current and quantitative perspective on valency and bonding concepts such as hybridization, electronegativity, and resonance, capitalizing on the many advances in wavefunction calculation and analysis that have subsequently occurred. We hope thereby to sharpen, revitalize, and enhance the usefulness of qualitative bonding concepts by presenting a “twenty-first-century view” of the nature of chemical bonding.

Content of Valency and Bonding



1 Introduction and theoretical background 1

1.1 The Schr ̈odinger equation and models of chemistry 1

1.2 Hydrogen-atom orbitals 8

1.3 Many-electron systems: Hartree–Fock and correlated treatments 13

1.4 Perturbation theory for orbitals in the Hartree–Fock framework: the donor-acceptor paradigm 16

1.5 Density matrices, natural localized and delocalized orbitals, and the Lewis-structure picture 21

1.6 Natural resonance structures and weightings 32

1.7 Pauli-exchange antisymmetry and steric repulsions 36

1.8 Summary 40

Notes for Chapter 1 41


2 Electrostatic and ionic bonding 45

2.1 Introduction 45

2.2 Atomic and ionic orbitals 47

2.3 Charge transfer and hybridization in ionic bonding 49

2.4 Donor–acceptor theory of hybridization in ionic bonding 55

2.5 Ionic–covalent transitions 60

2.6 Ion–dipole and dipole–dipole bonding 64

2.7 Bent ionic compounds of heavy alkaline earth 73

2.8 Ionic bonding in d-block elements 76

2.9 Summary 86

Notes for Chapter 2 87


3 Molecular bonding in s/p-block elements 89

3.1 Introduction 89

3.2 Covalent and polar covalent bonding 90

3.3 Conjugation and aromaticity 182

3.4 Hyperconjugation 215

3.5 Hypervalency: 3c/4e “ω bonds” 275

3.6 Hypovalency: 3c/2e bridge bonds 306

3.7 Summary 351

Notes for Chapter 3 353


4 Molecular bonding in the d-block elements 363

4.1 Introduction 363

4.2 Lewis-like structures for the d-block elements 365

4.3 Hybridization and molecular shape 372

4.4 Covalent and polar-covalent bonding 387

4.5 Coordinative metal-ligand bonding 434

4.6 Beyond sigma bonding: transition-metal hyper bonding and pi back/front bonding 447

4.7 Hypovalency, agostic interactions, and related aspects of catalytic activation at metal centers 479

4.8 Hyperconjugative effects 519

4.9 Multielectron coordination 522

4.10 Vertical trends in transition-metal bonding 545

4.11 Localized versus delocalized descriptions of transition-metal bonding and hyper bonding 563

4.12 Summary 573

Notes for Chapter 4 575


5 Supramolecular bonding 579

5.1 An introductory overview of intermolecular forces 579

5.2 Hydrogen bonding 593

5.3 Charge-transfer complexes 661

5.4 Transition-state species 678

5.5 Coupling of intramolecular and intermolecular interactions 693

5.6 Summary 702

Notes for Chapter 5 704


Appendix A. Methods and basis sets 710

Appendix B. Chemical periodicity 715

Appendix C. Units 723

Chemical-species index 727

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