Valency and bonding : a natural bond orbital donor-acceptor perspective

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Valency and bonding : a natural bond orbital donor-acceptor perspective / Frank Weinhold and Clark R. Landis

資料種別:

図書

出版情報:

Cambridge : Cambridge University Press, 2005

形態:

ix, 749 p. ; 26 cm

著者名:

ISBN:

9780521831284 [0521831288]

書誌ID:

BA74006867

子書誌情報

フルテキスト

所蔵情報

他の版・巻

書誌詳細

注記:

Includes bibliographical references and index

主題:

Chemical bonds; Molecular structure; Valence (Theoretical chemistry)

言語:

英語

目次情報:

Preface / Part I：

Introduction and Theoretical Background

The SchrÃ¶dinger equation and models of chemistry / 1：

Introduction and theoretical background

Hydrogen atom orbitals / 2：

The Schrodinger equation and models of chemistry / 3：

Many-electron systems

Perturbation theory for orbitals in the Hartree-Fock framework: the donor-acceptor paradigm / 1.2：

Hydrogen-atom orbitals

Density matrices, natural localized and delocalized orbitals and the Lewis structure picture / 5：

Many-electron systems: Hartree-Fock and correlated treatments / 6：

Natural resonance structures and weightings

Pauli exchange antisymmetry and steric repulsions / 1.4：

Summary / 8：

Density matrices, natural localized and delocalized orbitals, and the Lewis-structure picture / Part II：

Electrostatic and Ionic Bonding

Introduction / 1.6：

Atomic and ionic orbitals / 10：

Pauli-exchange antisymmetry and steric repulsions / 11：

Charge transfer and hybridization changes in ionic bonding

Donor-acceptor theory of hybridization changes in ionic bonding / 1.8：

Ionic/covalent transitions / 13：

Notes for Chapter 1

Ion-dipole and dipole-dipole bonding / 14：

Electrostatic and ionic bonding / 15：

Beta ionic compounds of heavy alkaline earths

Ionic bonding in D-block elements / 2.1：

Molecular Bonding in the S/P-Block Elements / 17：

Charge transfer and hybridization in ionic bonding / 2.3：

Covalent and polar covalent bonding / 19：

Donor-acceptor theory of hybridization in ionic bonding / 20：

Conjugation and aromaticity

Hyperconjugation / 2.5：

Ionic-covalent transitions

Hypervalency / 22：

Hypovalency / 23：

Bent ionic compounds of heavy alkaline earths / 2.7：

Molecular Bonding in the D-Block Elements / Part IV：

Ionic bonding in d-block elements / 25：

Lewis-like structures for the D-block / 2.9：

Hybridization and molecular shape / 27：

Notes for Chapter 2

Molecular bonding in s/p-block elements / 28：

Coordinative metal-ligand bonding

Hypervalent bonding / 3.1：

Hypovalency and agostic interactions / 31：

Conjugative and hyperconjugative effects / 32：

Multi-electron coordination / 3.3：

Vertical trends in transition metal bonding / 34：

Supramolecular Bonding / 35：

Hypervalency: 3c/4e "[omega] bonds"

Introductory overview of intermolecular forces / 36：

Hypovalency: 3c/2e bridge bonds / 37：

Hydrogen bonding

Charge transfer complexes / 3.7：

Transition state species / 39：

Notes for Chapter 3

Coupling of intra- and intermolecular interactions / 40：

Molecular bonding in the d-block elements / 41：

Appendices / 4.1：

Lewis-like structures for the d-block elements / 4.2：

Covalent and polar-covalent bonding / 4.3：

Beyond sigma bonding: transition-metal hyperbonding and pi back/frontbonding / 4.5：

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

Hyperconjugative effects / 4.8：

Multielectron coordination / 4.9：

Vertical trends in transition-metal bonding / 4.10：

Localized versus delocalized descriptions of transition-metal bonding and hyperbonding / 4.11：

Notes for Chapter 4 / 4.12：

Supramolecular bonding

An introductory overview of intermolecular forces / 5.1：

Charge-transfer complexes / 5.2：

Transition-state species / 5.4：

Coupling of intramolecular and intermolecular interactions / 5.5：

Notes for Chapter 5 / 5.6：

Methods and basis sets / Appendix A：

Chemical periodicity / Appendix B：

Units / Appendix C：

Chemical-species index

Author index

Preface / Part I：

Introduction and Theoretical Background

The SchrÃ¶dinger equation and models of chemistry / 1：

Introduction and theoretical background

Hydrogen atom orbitals / 2：

The Schrodinger equation and models of chemistry / 3：

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