Chem 110B: Physical Chemistry II

by Delmar Larsen

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Group theory. Application of quantum mechanics to polyatomic molecules and molecular spectroscopy. Intermolecular forces and the gas, liquid and solid states. Distributions, ensembles and partition functions. Transport properties.

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Publisher
University of California, Davis
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. Chapter 10: Bonding in Polyatomic Molecules I
  7. 10.1: Origins of MO Theory - The “Impossible” Problem
  8. 10.2: Origins of MO Theory - Linear Combinations of Atomic Orbitals
  9. 10.3: Origins of MO Theory - MO Diagrams
  10. 10.4: Beyond H₂⁺ - General MO theory - The Independent Particle Approximation
  11. 10.5: Beyond H₂⁺ - General MO theory - The Pauli Exclusion Principle and Slater determinants
  12. 10.6: Beyond H₂⁺ - General MO theory - Hartree-Fock Self-Consistent Field (SCF) theory
  13. 10.7: Further approximations in MO theory
  14. Chapter 11: Bonding in Polyatomic Molecules II
  15. 11.1: Hybrid Orbitals Account for Molecular Shape
  16. 11.1.1: Rethinking Hybridization
  17. 11.2: Different Hybrid Orbitals Used for Bonding in Water
  18. 11.3: Why is BeH₂ Linear and H₂O Bent?
  19. 11.4: Photoelectron Spectroscopy
  20. 11.5: The π-Electron Approximation of Conjugation
  21. 11.6: Butadiene is Stabilized by a Delocalization Energy
  22. 11.7: The Big Picture
  23. Chapter 12: Computational Quantum Chemistry
  24. 12.1: Introdcution to Computational Chemistry
  25. 12.2: Numerical Integrations are Core of Quantum Chemistry
  26. 12.3: Basis Sets
  27. 12.4: Gaussian Basis Sets
  28. 12.5: Extended Basis Sets
  29. 12.6: Orbital Polarization and Diffuse Functions
  30. 12.7: Post-Hartree-Fock Methods - Density Functional Theory
  31. Chapter 14: Group Theory - Exploiting Symmetry
  32. 14.1: Using Symmetry to Simplify Calculations
  33. 14.2: The Symmetry of Molecules
  34. 14.3: Symmetry Operations Define Groups
  35. 14.4: Symmetry Operations can be Represented by Matrices
  36. 14.5: The \(C_3V\) Point Group Has a 2-D Irreducible Representation
  37. 14.6: Character Tables
  38. 14.7: Relations involving Characters
  39. 14.8: Using Symmetry to Predict Zero in a Secular Determinant
  40. 14.9: Generating Operators for Irreducible Representations
  41. Chapter 15: Molecular Spectroscopy
  42. 15.1: The Electromagnetic Spectrum
  43. 15.2: Rotational Transitions Accompany Vibrational Transitions
  44. 15.3: The Vibration-Rotation Spectrum
  45. 15.4: The Pure Rotational Spectrum has Unequal Spacings
  46. 15.5: Vibrational Overtones
  47. 15.6: Electronic Spectra Contain Electronic, Vibrational, and Rotational Information
  48. 15.7: The Franck-Condon Principle
  49. 15.8: Rotational Spectra of Polyatomic Molecules
  50. 15.9: Normal Modes in Polyatomic Molecules
  51. 15.10: Irreducible Representation of Point Groups
  52. 15.11: Time-Dependent Perturbation Theory
  53. 15.12: The Selection Rule for the Rigid Rotator
  54. 15.13: The Harmonic Oscillator Selection Rule
  55. 15.14: Group Theory Determines Infrared Activity
  56. 15.15: Molecular Spectroscopy (Exercises)
  57. Chapter 16: Lasers, Laser Spectroscopy, and Photochemistry
  58. 16.1: Electronically Excited Molecules
  59. 16.2: Transitions Modeled as Kinetics
  60. 16.3: Two-Level Systems Cannot Form Population Inversions
  61. 16.4: Population Inversion via Three-Level Systems
  62. 16.5: Laser Fundamentals
  63. 16.6: The Helium-Neon Laser
  64. 16.7: High-Resolution Laser Spectroscopy
  65. 16.8: Photochemical Dynamics
  66. Chapter 17: The Properties of Gases
  67. 17.1: All Dilute Gases Behave Ideally
  68. 17.2: van der Waals and Redlich-Kwong Equations
  69. 17.3: A Cubic Equation of State
  70. 17.4: The Law of Corresponding States
  71. 17.5: The Second Virial Coefficient
  72. 17.6: The Repulsive Term in the Lennard-Jones Potential
  73. 17.7: Van der Waals Constants in Terms of Molecular Parameters
  74. 17.8: The Properties of Gases (Exercises)
  75. Chapter 18: Boltzmann Factor and Partition Functions
  76. 18.1: The Boltzmann Factor Is One of the Most Important Quantities in the Physical Sciences
  77. 18.2: The Thermal Boltzman Distribution
  78. 18.3: We Postulate That the Average Ensemble Energy Is Equal to the Observed Energy of a System
  79. 18.4: The Heat Capacity at Constant Volume
  80. 18.5: Express the Pressure in Terms of a Partition Function
  81. 18.6: Partition Functions of Systems of Distinguishable Molecules are Products of Molecular Partition Functions
  82. 18.7: Partition Function of Indistinguishable Components
  83. 18.8: A Molecular Partition Function Can Be Decomposed into Partition Functions for Each Degree of Freedom
  84. 18.9: Exercises
  85. Chapter 19: Partition Functions and Ideal Gases
  86. 19.1: The Translational Partition Function of a Monatomic Ideal Gas
  87. 19.2: Most Atoms Are in the Ground Electronic State at Room Temperature
  88. 19.3: The Energy of a Diatomic Molecule Can Be Approximated as a Sum of Separate Terms
  89. 19.4: Most Molecules Are in the Ground Vibrational State at Room Temperature
  90. 19.5: Most Molecules Are in Excited Rotational States at Ordinary Temperatures
  91. 19.6: Rotational Partition Functions Contain a Symmetry Number
  92. 19.7: The Vibrational Partition Function
  93. 19.8: The Rotational Partition Function Depends on the Shape of the Molecule
  94. 19.9: Molar Heat Capacities
  95. 19.10: Partition Functions and Ideal Gases (Exercises)
  96. Worksheets
  97. 1: The Dihydrogen Cation (Worksheet)
  98. 1.1: Worksheet 1 Solutions
  99. 2: Valence Bond Orbitals for Hydrogen
  100. 3: Symmetry and Assigning Point Groups
  101. 4: Using Symmetry to Solve Integrals
  102. 5: Deriving Selection Rules with Symmetry
  103. 6: Translation Partition Function
  104. 7: Rotational Partition Functions
  105. Back Matter
  106. Index
  107. Glossary
  108. Detailed Licensing