Quantum Chemistry A Unified Approach 2nd Edition by David Cook 1911299585 9781911299585

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ISBN-10 :  1911299585 

ISBN-13 : 9781911299585

Author: David B. Cook 

This book is a presentation of a qualitative theory of chemical bonding, stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to “rationalise” the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, inorganic, and physical chemistry.Each chapter has an Assignment Section containing “problems” which might be usefully attempted to improve the understanding of the new material in that chapter.The new edition has had several appendices added which give support to concepts which, if included in the main text, would have hindered the main thrust of the presentation. These new appendices are an attempt to clarify oversights and errors which have been tacitly ignored and which have now become part of the conventional wisdom.

Quantum Chemistry A Unified Approach 2nd Table of contents:

1. How Science Deals with Complex Problems
1.1 Introduction: Levels in Science
1.2 What Are Molecules Made of?
1.3 Interactions Between Atoms
1.4 The Simplest Examples: H2 and LiH
1.4.1 The hydrogen molecule
1.4.2 The lithium hydride molecule
1.4.2.1 What about the other Li electrons?
1.4.2.2 What about the nuclear repulsions?
1.4.3 Comments on H2 and LiH
1.5 How to Proceed?
1.6 Assignment for Chapter 1
Appendix A How to Interpret 3D Contours
A.1 Thinking in 3D
A.2 The Electron Distribution of the Lithium 2s Electron
A.2.1 How does this relate to the text-book ‘orbitals’
A.2.2 What if the distribution is not spherical?
Appendix B Must We Use Quantum Theory?
B.1 Connections to Laws of Nature
B.2 Stable Molecules
B.3 The Equipartition of Energy
B.4 Quantum Summary
2. What We Know About Atoms and Molecules
2.1 Atomic Electronic Structure
2.1.1 The hydrogen atom
2.1.2 Many-electron atoms
2.1.3 The Pauli principle
2.1.3.1 Statement of the Pauli principle
2.2 Using the Atomic Energy-Level Scheme
2.2.1 Current summary for atoms
2.3 Empirical Chemistry
2.4 Assignment for Chapter 2
Appendix C The Interpretation of Orbitals
C.1 What is an Orbital?
C.2 Orbitals: Atomic and Molecular
3. A Strategy for Electronic Structure
3.1 Review
3.2 Lithium Hydride Again
3.2.1 Polarisation and hybrid AOs
3.2.2 Molecular orbitals
3.2.2.1 Quick summary
3.3 Assignment for Chapter 3
Appendix D Is Hybridisation a Real Process?
4. The Pauli Principle and Orbitals
4.1 A Difficulty with Helium
4.2 When are Orbitals Mutually Exclusive?
4.3 Does this Work for AOs?
4.4 The Helium Molecule — Again
4.5 The Role of Atomic Orbitals in Valence Theory
4.6 Current Summary for LiH and ‘He2’
4.7 Assignment for Chapter 4
5. A Model Polyatomic: Methane
5.1 The Methane Molecule: CH4
5.2 The Electronic Structure of Methane
5.3 The Shape of the Methane Molecule
5.4 What About the Pauli principle?
5.4.1 Preliminary summary for methane
5.5 The Chemist’s Description of Methane
5.5.1 How to use these structures: the valence bond method
5.6 Summary for Methane
5.7 Assignment for Chapter 5
Appendix E Valence as Electron Spin Pairing
6. Lone Pairs of Electrons
6.1 Why are Not All Electrons Involved in Bonding
6.2 What is a Lone Pair?
6.2.1 The ammonia molecule
6.2.2 The water molecule
6.3 The Shapes of Simple Molecules
6.3.1 The water molecule — again
6.4 ‘Reactions’ of Lone Pairs
6.5 A Working Summary
6.6 Assignment for Chapter 6
7. Organic Molecules with Multiple Bonds
7.1 Double and Triple Bonds
7.2 The Possibilities
7.3 Ethene and Methanal
7.4 The Double Bond in Ethene and Methanal
7.4.1 Sigma (σ) and Pi (π) notation in planar molecules
7.5 The σ and π Orbitals in C2H4 and CH2O
7.5.1 Ethene contours
7.5.2 Methanal contours
7.5.3 Relative energies of the two bonds
7.6 Reactivity of a Double Bond
7.7 Multiple Bonds in General
7.8 Assignment for Chapter 7
8. Molecular Symmetry
8.1 The Question of Symmetry
8.2 Symmetry: Generalisation
8.3 Case Studies: H2O and Benzene
8.3.1 The H2O molecule
8.3.2 The benzene σ system
8.4 Bond MOs and Symmetry MOs
8.5 A Cautionary Note
8.6 Assignment for Chapter 8
Appendix F Buridan’s Ass and Molecular Symmetry
9. Diatomics with Multiple Bonds
9.1 Motivation
9.2 The Nitrogen Molecule: N2
9.2.1 Energies of the N2 MOs
9.2.2 Symmetry and the N2 molecule
9.3 The Carbon Monoxide Molecule: CO
9.4 Other Homonuclear Diatomics
9.4.1 The oxygen molecule: O2
9.5 Lessons from Diatomics
9.6 Assignment for Chapter 9
10. Dative Bonds
10.1 Introduction: Familiar Reactions
10.1.1 ‘Solvation’
10.1.2 A reactive lone pair: the CO molecule
10.1.3 CO and transition-metal atoms
10.2 The Dative Bond: Summary
10.3 Assignment for Chapter 10
11. Delocalised Electronic Substructures: Aromaticity
11.1 The Benzene Molecule
11.2 Delocalised Electrons
11.3 Environment-Insensitive π Substructures?
11.4 Nomenclature and Summary
11.5 Assignment for Chapter 11
Appendix G Some Historical Considerations
G.1 Introduction
G.2 The Huckel Model
G.3 Commentary
G.4 Consequences
12. Organic and Inorganic Chemistry
12.1 Commentary on Results
12.2 Nitric Acid and Related Molecules
12.2.1 The nitrate ion NO-3
12.3 Carbonic Acid and Carbonates
12.4 Sulphuric Acid and Sulphates
12.5 Assignment for Chapter 12
13. Further Down the Periodic Table
13.1 The Effect of Increasing Atomic Number
13.2 The Possible Demise of Lone Pairs
13.3 A Particular Case: Sulphur
13.4 The General Case: ‘Hypervalence’
13.4.1 Single or double bonds?
13.4.2 The steric effect
13.5 How to Describe These Bonds?
13.5.1 A comparison: 16 valence electrons
13.6 An Updated Summary
13.7 Assignment for Chapter 13
14. Reconsidering Empirical Rules
14.1 Limitations of the Octet Rule
14.2 The Basis of the Octet Rule
14.3 Population Analysis
14.4 Resonance and Resonance Hybrids
14.5 Oxidation Number
14.6 Summary for Number Rules
14.7 Assignment for Chapter 14
15. Mavericks and Other Lawbreakers
15.1 Exceptions to the Rules
15.2 Boron Hydrides and Bridges
15.2.1 The expected compound: BH3
15.2.2 The compounds which are found
15.2.3 Bridged, three-centre bonds
15.3 Other Three-Centre Bonds?
15.4 Metals and Crystals
15.4.1 Metals
15.4.2 Crystals
15.5 The Hydrogen Bond
15.6 Lawbreakers?
15.7 Assignment for Chapter 15
16. The Transition Elements
16.1 The Background
16.2 Transition Metals: Effects of ‘d’ Electrons
16.3 ‘Screening’ in the Electronic Structure of Atoms
16.4 History and Apology
16.4.1 The ‘crystal’ model
16.4.2 The molecular orbital model
16.4.3 The ‘chemical’ model
16.4.4 Apology
16.5 Comments
16.6 Assignment for Chapter 16
17. Omissions and Conclusions
17.1 Omissions
17.1.1 Intermolecular forces
17.1.2 Chemical reactions
17.2 Conclusions
17.3 Assignment for Chapter 17

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