Chemistry from first principles / by Jan C.A. Boeyens.

Format:

Book

Author/Creator:

Boeyens, J. C. A. (Jan C. A.)

Language:

English

Subjects (All):

Chemistry, Physical and theoretical.

Physical Description:

xvii, 321 pages : illustrations ; 25 cm

Place of Publication:

Dordrecht ; London : Springer, [2008]

Summary:

Chemistry from First Principles is written for any chemist who requires a fundamental understanding of the complexities of chemistry. It provides a clear interpretation of chemical theory from first principles. This book examines the appearance of matter in its most primitive form, from the vacuum and the diversity that results from the fusion of elementary units in the genesis of atomic matter; considers the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter; analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics; formulates a consistent theory, based on clear physical pictures and manageable mathematics, to account for chemical concepts such as the structure and stability of atoms and molecules, the periodicity of nuclides and elements, valence states, activation and chemical reactivity, electronegativity and general covalency, the exclusion principle, electronic energy, orbital angular momentum and spin in relation to molecular shape, torsional rigidity, chirality and molecular modeling; explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems and galactic conformation.

Chemistry from First Principles is an essential guide for students of chemistry who lack the knowledge in higher mathematics considered necessary to grasp the basic principles of chemical theory, teachers of chemistry who are forced to preach concepts which they poorly understand, and any scientist who is seeking a true understanding of chemistry through logical concepts.

Contents:

I A New Look at Old Theories 1

1 Historical Perspective 3

2 The Important Concepts 9

2.1 The Principle of Relativity 10

2.1.1 Relative Motion 11

2.1.2 Lorentz Transformation 12

2.1.3 General Relativity 19

2.2 The Old Quantum Theory 22

2.2.1 The Bohr Model 22

2.2.2 The Sommerfeld Model 27

2.3 Wave-Particle Duality 31

2.3.1 Photoelectric Effect 31

2.3.2 Compton Effect 32

2.3.3 Electron Diffraction 33

2.3.4 Wave Packets 35

2.3.5 Matter Waves 37

2.3.6 Historical Note 39

2.4 Orbital Angular Momentum 41

2.4.1 Laplace's Equation 41

2.4.2 Angular Momentum 45

2.4.3 Surface Harmonics 47

2.5 The Quantum Theory 48

2.5.1 The Uncertainty Principle 49

2.5.2 The Measurement Problem 49

2.5.3 The Quantum Limit 50

2.5.4 Wave Mechanics 52

2.5.5 Schrodinger's Equation 54

2.5.6 Quantum Probability 56

2.5.7 The Periodic Table 57

2.6 Atomic Shape 59

2.6.1 Chemical Affinity and Shape 59

2.6.2 Orbiting Electrons 60

2.6.3 Hybrid Orbitals 61

2.6.4 Atomic Structure 65

2.6.5 Compressed Atoms 66

2.7 Chemical Bonding 67

2.7.1 Classical Theory 67

2.7.2 Quantum Theory 68

2.7.3 Critique of the Model 69

3 The Quantum Quandary 73

3.1 The Classical Background 73

3.1.1 Hamilton-Jacobi Theory 74

3.1.2 Periodic Systems 81

3.2 The Copenhagen Orthodoxy 86

3.2.1 Matrix Mechanics 86

3.2.2 The Interpretational Problem 89

3.2.3 The Copenhagen Model 90

3.3 The Schrodinger Interpretation 94

3.3.1 The Negative Reaction 95

3.3.2 The Positive Aspects 98

3.3.3 The Wave Formalism 101

3.4 The Hydrodynamic Alternative 104

3.4.1 Madelung's Model 104

3.4.2 Refinements of the Model 106

3.4.3 Implications of the Model 107

3.5 Bohmian Mechanics 109

3.5.1 Quantum Potential 110

3.5.2 The Phase Factor 113

3.5.3 Stationary States 115

3.6 Atomic Theory 116

3.6.1 The Virial Theorem 116

3.6.2 Electronic Structure 117

3.6.3 Compressive Activation 118

3.7 Quantum Chemistry 120

3.7.1 The Ab-initio Model 122

3.7.2 The Hellmann-Feynman Theorem 124

3.8 Density Functional Theory 125

II Alternative Theory 127

4 The Periodic Laws 129

4.2 Nuclide Periodicity 130

4.3 The Number Spiral 132

4.4 Elemental Synthesis 135

4.5 The Golden Parameter 139

4.6 Periodic Table of the Elements 140

4.6.1 Farey Fractions and Ford Circles 141

4.7 Electron Spin 144

4.7.1 Spherical Rotation 144

4.7.2 Schrodinger's Equation and Spin 146

4.7.3 The Spin Model 149

4.7.4 Hund's Rule 150

4.8 Nuclear Structure and Spin 151

4.9 Nucleon Periodicity 152

4.9.1 Farey and Ford Analysis 153

5 Chemical Interaction 159

5.1 The Valence State 159

5.2 Electronegativity 163

5.3 Covalent Interaction 165

5.3.1 The Diatomic Energy Curve 170

5.3.2 Generalized Covalence 171

5.3.3 Bond Dissociation Energy 174

5.3.4 The Quantum Model 177

5.3.5 Screening and Bond Order 179

5.4 Chemical Cohesion 182

5.4.1 Interaction Theory 183

5.4.2 Cohesive Interaction 185

5.4.3 Conspectus 196

6 Structure Theory 203

6.1 The Structure Hypothesis 203

6.1.1 Mechanical Simulation 205

6.1.2 Charge Density 207

6.2 Angular Momentum and Shape 207

6.2.1 Small Molecules 208

6.2.2 Conformational Rigidity 212

6.2.3 Molecular Chirality 212

6.3 Molecular Modelling 215

6.3.1 Free-electron Modelling 215

6.3.2 The Jahn-Teller Model 223

6.3.3 Molecular Mechanics 224

6.4 Molecular Structure 230

6.4.1 Charge and Momentum Density 231

6.4.2 Crystallographic Analysis 234

6.4.3 Molecules and Crystals 239

6.4.4 Structural Formulae 241

6.5 Emergent Structure 243

6.5.1 Molecular Shape 245

6.6 The Metaphysics 246

7 Chemical Change 249

7.1 Thermodynamic Potentials 249

7.2 Chemical Reactivity 250

7.3 The Boltzmann Distribution 253

7.4 Entropy 254

7.5 Chemical Reaction 255

7.5.1 Atomic Reactions 257

7.6 Chemical Kinetics 259

8 The Central Science 261

8.2 The Solar System 262

8.2.1 Spiral Structure 263

8.3 Chemical Science 265

8.3.1 Where did Chemistry go wrong? 266

8.3.2 Constructionism 268

8.3.3 Emergent Chemical Properties 269

8.4 General Chemistry 270

8.4.1 Chemical Substance 271

8.4.2 Electromagnetism 272

8.4.3 Relativistic Effects 273

8.4.4 Interaction Theory 274

8.4.5 Quantum Effects 275

8.4.6 The Wave Mechanics 276

8.4.7 The Chemical Environment 277

8.4.8 Covalence 278

8.4.9 The Exclusion Principle 279

8.4.10 The Common Model 279

8.4.11 Molecular Structure 280

8.4.12 Electron Spin 281

8.4.13 Periodicity of Matter 282

8.4.14 Nuclear Genesis 285

8.4.15 Reaction Theory 285

8.5 Chemical Cosmology 288

8.5.1 Nuclear Synthesis 289

8.5.2 Chirality of Space 290

8.5.3 The Microwave Background 291

8.5.4 Spectroscopic Red Shifts 291.

Notes:

Includes bibliographical references and index.

ISBN:

9781402085451

1402085451

140208546X

9781402085468

OCLC:

244765595