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E-grāmata: Orbitals: With Applications In Atomic Spectra

(Winchester College, Uk)
  • Formāts: 276 pages
  • Sērija : Essential Textbooks in Chemistry
  • Izdošanas datums: 30-Mar-2015
  • Izdevniecība: Imperial College Press
  • Valoda: eng
  • ISBN-13: 9781783264162
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  • Formāts: 276 pages
  • Sērija : Essential Textbooks in Chemistry
  • Izdošanas datums: 30-Mar-2015
  • Izdevniecība: Imperial College Press
  • Valoda: eng
  • ISBN-13: 9781783264162
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This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.
Acknowledgements xi
Preface xiii
Chapter 1 Fundamentals
1(12)
1.1 Wave-Particle Duality
1(1)
1.2 Wavefunctions
2(1)
1.3 Schrodinger and his Equation
3(2)
1.4 Properties of Eigenvalue Equations
5(2)
1.5 The Meaning of the Wavefunction
7(1)
1.6 What are Orbitals and can they be Visualised?
8(3)
1.7 Dirac Notation
11(2)
Chapter 2 Orbitals in the Hydrogen Atom
13(44)
2.1 Spherical Polar Coordinates
13(1)
2.2 Degrees of Freedom and Quantum Numbers
14(2)
2.3 Angular Momentum
16(2)
2.4 Angular Wavefunctions of the Hydrogen Electron
18(9)
2.5 Cubic f Orbitals in the Hydrogen Atom
27(4)
2.6 Radial Wavefunctions of the Hydrogen Electron
31(10)
2.7 The Bohr Radius
41(2)
2.8 Orbital Energies in the Hydrogen Atom
43(4)
2.9 G Orbitals
47(6)
2.10 The Speed of the Electron
53(4)
Chapter 3 Multi-Electron Atoms
57(44)
3.1 Multi-Electron Schrodinger Equations and the Orbital Approximation
57(1)
3.2 Shielding and Penetration
58(2)
3.3 Slater's Rules
60(4)
3.4 Electron Affinity and its Periodicity
64(3)
3.5 Electron Spin and the Pauli Principle
67(2)
3.6 Arrow-in-Box Notation and its Limitations
69(1)
3.7 Ionisation of d-Block-Metal's Electrons
70(7)
3.8 Irregular Configurations and Exchange Energy
77(4)
3.9 An Alternative Approach to d-Block Configurations
81(6)
3.10 Explaining Some Surprising d-Block Chemistry
87(6)
3.11 Contrasts in f-Block Chemistry
93(8)
Chapter 4 Wavefunctions in Multi-Electron Atoms
101(22)
4.1 Antisymmetric Wavefunctions: Slater Determinants
101(3)
4.2 Energy Levels in Multi-Electron Atoms
104(2)
4.3 Russell--Saunders Terms
106(4)
4.4 Spin 1/2
110(2)
4.5 Spin--Orbit Coupling Ill
4.6 Hund's Rules
112(2)
4.7 JJ Coupling
114(2)
4.8 Other Types of Magnetic Coupling
116(1)
4.9 Crystal Fields
117(6)
Chapter 5 Orbitals in Molecules
123(32)
5.1 The Linear Combination of Atomic Orbitals (LCAO)
123(2)
5.2 Molecular Orbital Energies
125(6)
5.3 Types of Orbital Overlap
131(4)
5.4 Hybridised Atomic Orbitals
135(7)
5.5 Hybridised Bonding and Antibonding Orbitals
142(2)
5.6 π Bonding in Benzene
144(11)
Chapter 6 Atomic Spectroscopy
155(44)
6.1 Electric-Dipole Transitions and Selection Rules
155(5)
6.2 Simple Model Systems
160(15)
6.3 Simple Atomic Spectra
175(9)
6.4 Complex Atomic Spectra
184(15)
Appendix A Worked Solutions to Exercises
199(52)
Chapter 1 Fundamentals
199(1)
Chapter 2 Orbitals in the Hydrogen Atom
200(17)
Chapter 3 Multi-Electron Atoms
217(5)
Chapter 4 Wavefunctions in Multi-Electron Atoms
222(7)
Chapter 5 Orbitals in Molecules
229(4)
Chapter 6 Atomic Spectroscopy
233(18)
Bibliography 251(6)
Index 257