CH 231: Physical Chemistry I, Quantum Mechanics

by Steven Gravelle

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First semester of Physical Chemistry covers quantum mechanics, atoms, molecules and spectroscopy.

Description from LibreTexts.

Publisher
Saint Vincent College
Subjects
Chemistry
Licence
CC BY-NC-SA 4.0, as LibreTexts states it. Non-commercial use only.
Who can read
Tweens profiles and older, judged from its title and subjects

Contents

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  1. Front Matter
  2. TitlePage
  3. InfoPage
  4. Table of Contents
  5. Licensing
  6. 1: Quantum Mechanics and Atomic Structure
  7. 1.1: The Wave Theory of Light
  8. 1.2: Planck's Quantum Theory
  9. 1.3: The Photoelectric Effect
  10. 1.4: The Atomic Emission Spectrum
  11. 1.5: de Broglie's Postulate
  12. 1.6: The Heisenberg Uncertainty Principle
  13. 2: The Schrödinger equation
  14. 2.1: The Schrödinger Wave Equation
  15. 2.2: The Schrödinger Equation is an Eigenvalue Problem
  16. 2.3: The Postulates of Quantum Mechanics
  17. 3: First Model, Particle in Box
  18. 3.1: Particle in a One-Dimensional Box
  19. 3.2: The One-Dimensional Particle in a Box
  20. 3.3: Particle in a 2-Dimensional Box
  21. 3.4: A Particle in a Three-Dimensional Box
  22. 3.E: The Schrödinger Equation and a Particle in a Box (Exercises)
  23. 4: Second Model, Vibrational Motion
  24. 4.1: A Harmonic Oscillator Obeys Hooke's Law
  25. 4.2: The Harmonic Oscillator Energy Levels
  26. 4.3: The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule
  27. 4.4: The Harmonic Oscillator Wavefunctions involve Hermite Polynomials
  28. 4.5: The Harmonic Oscillator Approximates Molecular Vibrations
  29. 4.6: The Harmonic Oscillator and Infrared Spectra
  30. 5: 3rd Model: Rotational Motion
  31. 5.1: The Energy Levels of a Rigid Rotor
  32. 5.2: The Rigid Rotator is a Model for a Rotating Diatomic Molecule
  33. 6: The Hydrogen Atom
  34. 6.1: The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly
  35. 6.2: The Wavefunctions of a Rigid Rotator are Called Spherical Harmonics
  36. 6.3: The Three Components of Angular Momentum Cannot be Measured Simultaneously with Arbitrary Precision
  37. 6.4: Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers
  38. 6.5: s-orbitals are Spherically Symmetric
  39. 6.6: Orbital Angular Momentum and the p-Orbitals
  40. 6.7: The Helium Atom Cannot Be Solved Exactly
  41. 7: Multielectron Atoms
  42. 7.1: Atomic and Molecular Calculations are Expressed in Atomic Units
  43. 7.2: Perturbation Theory and the Variational Method for Helium
  44. 7.3: Hartree-Fock Equations are Solved by the Self-Consistent Field Method
  45. 7.4: Hartree-Fock Calculations Give Good Agreement with Experimental Data
  46. 8: Chemical Bonding in Diatomic Molecules
  47. 8.1: The Born-Oppenheimer Approximation Simplifies the Schrödinger Equation for Molecules
  48. 8.2: The H₂⁺ Prototypical Species
  49. 8.3: The Overlap Integral
  50. 8.4: Chemical Bond Stability
  51. 8.5: Bonding and Antibonding Orbitals
  52. 8.6: A Simple Molecular-Orbital Treatment of H₂ Places Both Electrons in a Bonding Orbital
  53. 8.7: Molecular Orbitals Can Be Ordered According to Their Energies
  54. 8.8: Molecular-Orbital Theory Does not Predict a Stable Diatomic Helium Molecule
  55. 8.9: Electrons Populate Molecular Orbitals According to the Pauli Exclusion Principle
  56. 8.10: Molecular Orbital Theory Predicts that Molecular Oxygen is Paramagnetic
  57. 8.11: Photoelectron Spectra Support the Existence of Molecular Orbitals
  58. 8.12: Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules
  59. 8.13: Molecular Term Symbols Describe Electronic States of Molecules
  60. 8.14: Molecular Term Symbols Designate Symmetry
  61. Back Matter
  62. Index
  63. Glossary
  64. Detailed Licensing
  65. Detailed Licensing