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CHM 311: Physical Chemistry I

Chemistry

Tác giả: Anderson Marsh
Nhà xuất bản: Lebanon Valley College
Nguồn: LibreTexts
Ngôn ngữ: EN
Danh mục: Khoa học cơ bản

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Mục lục· 150 mục

01: The Path to Quantum Mechanics
1.01: Prelude to the Foundations of Quantum Mechanics
1.02: Blackbody Radiation Cannot Be Explained Classically
1.03: Quantum Hypothesis Used for Blackbody Radiation Law
1.04: Photoelectric Effect Explained with Quantum Hypothesis
1.05: Matter Has Wavelike Properties
1.06: de Broglie Waves can be Experimentally Observed
02: Foundations of Quantum Mechanics
2.01: The Schrodinger Equation
2.02: The Postulates of Quantum Mechanics
2.03: The Wavefunction Specifies the State of a System
2.04: Wavefunctions Have a Probabilistic Interpretation
2.05: Wavefunctions Must Be Normalized
2.06: Linear Operators in Quantum Mechanics
2.07: Quantum Operators Represent Classical Variables
2.08: The Schrodinger Equation is an Eigenvalue Problem
2.09: Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators
2.10: Eigenfunctions of Operators are Orthogonal
2.11: The Heisenberg Uncertainty Principle
2.12: Commuting Operators Allow Infinite Precision
03: Model Systems in Quantum Mechanics
3.01: The Energy of a Particle in a Box is Quantized
3.02: The Free Electron Model
3.03: The Average Momentum of a Particle in a Box is Zero
3.04: A Particle in a Three-Dimensional Box
3.05: Tunneling
3.06: A Harmonic Oscillator Obeys Hooke's Law
3.07: The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule
3.08: The Harmonic Oscillator Approximates Molecular Vibrations
3.09: The Harmonic Oscillator Energy Levels
3.10: The Harmonic Oscillator Wavefunctions involve Hermite Polynomials
3.11: Hermite Polynomials are either Even or Odd Functions
3.12: Spherical Polar Coordinates
3.13: Potential Energy and the Hamiltonian
3.14: Solution to the Schrodinger Equation
3.15: Spherical Harmonics
3.16: Angular Momentum
3.17: The Three Components of Angular Momentum Cannot be Measured Simultaneously with Arbitrary Precision
3.18: Application to the Rotation of Real Molecules
04: The Hydrogen Atom
4.01: The Hydrogen Atomic Spectrum
4.02: The Rydberg Formula and the Hydrogen Atomic Spectrum
4.03: Bohr's Hydrogen Atom
4.04: The Schrodinger Equation
4.05: Other One-Electron Systems
4.06: The Wavefunctions
4.07: s-orbitals are Spherically Symmetric
4.08: Orbital Angular Momentum and the p-Orbitals
05: Many Electron Atoms
5.01: The Helium Atom Cannot Be Solved Exactly
5.02: Atomic and Molecular Calculations are Expressed in Atomic Units
5.03: The Variational Method Approximation
5.04: Single-electron Wavefunctions and Basis Functions
5.05: An Electron has an Intrinsic Spin Angular Momentum
5.06: Wavefunctions must be Antisymmetric to Interchange of any Two Electrons
5.07: Antisymmetric Wavefunctions can be Represented by Slater Determinants
5.08: Electron Configurations The Pauli Exclusion Principle The Aufbau Principle and Slater Determinants
5.09: The Self-Consistent Field Approximation (Hartree-Fock Method)
5.10: Hartree-Fock Calculations Give Good Agreement with Experimental Data
5.11: Term Symbols Gives a Detailed Description of an Electron Configuration
5.12: The Allowed Values of J - the Total Angular Momentum Quantum Number
5.13: Hund's Rules Determine the Term Symbols of the Ground Electronic States
06: Molecular Structure and Bonding
6.01: The Born-Oppenheimer Approximation
6.02: The Orbital Approximation and Orbital Configurations
6.03: Linear Variational Method and the Secular Determinant
6.04: Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters
6.05: The H Prototypical Species
6.06: The Overlap Integral
6.07: Chemical Bond Stability
6.08: Bonding and Antibonding Orbitals
6.09: A Simple Molecular-Orbital Treatment of H Places Both Electrons in a Bonding Orbital
6.10: Molecular Orbitals Can Be Ordered According to Their Energies
6.11: Molecular-Orbital Theory Does not Predict a Stable Diatomic Helium Molecule
6.12: Electrons Populate Molecular Orbitals According to the Pauli Exclusion Principle
6.13: Diatomic Molecules of the First and Second Periods
6.14: Molecular Orbital Theory Predicts that Molecular Oxygen is Paramagnetic
6.15: Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules
6.16: Orbital ionization energies
6.17: Polar bonds
6.18: Molecular Term Symbols Describe Electronic States of Molecules
6.19: Molecular Term Symbols Designate Symmetry
6.20: The pi-Electron Approximation of Conjugation
6.21: Butadiene is Stabilized by a Delocalization Energy
6.22: Benzene and Aromaticity
07: Group Theory and Symmetry
7.01: Symmetry Elements and Operations Define the Point Groups
7.02: Symmetry Operations Define Groups
7.03: Symmetry Operations as Matrices
7.04: Molecules can be Represented by Reducible Representations
7.05: Character Tables Summarize the Properties of a Point Group
7.06: Characters of Irreducible Representations
7.07: Molecular Orbitals can be Constructed on the Basis of Symmetry
7.08: HO
7.09: The Exploitation of Symmetry Can Help Simplify Numerical Calculations
08: Statistical Mechanics
8.01: The Boltzmann Factor is used to Approximate the Fraction of Particles in a Large System
8.02: The Boltzmann Distribution represents a Thermally Equilibrated Distribution
8.03: Translational Partition Functions of Monotonic Gases
8.04: Most Atoms are in the Ground Electronic State
8.05: Pressure can be Expressed in Terms of the Canonical Partition Function
8.06: Most Molecules are Rotationally Excited at Ordinary Temperatures
8.07: Rotational Partition Functions of Diatomic Gases Contain a Symmetry Number
8.08: Rotational Partition Functions of Polyatomic Molecules Depend on the Sphar of the Molecule
8.09: Most Molecules are in the Ground Vibrational State
8.10: Vibrational Partition Functions of Polyatomic Molecules Include the Partition Function for Each Normal Coordinate
8.11: The Partition Function of Distinguishable Independent Molecules is the Product of the Molecular Partition Functions
8.12: Partition Functions can be Decomposed into Partition Functions of Each Degree of Freedom
8.13: The Average Ensemble Energy is Equal to the Observed Energy of a System
8.14: The Energy of a Diatomic Polyatomic Molecule Can Be Approximated as a Sum of Separate Terms
8.15: Heat Capacity at Constant Volume is the Change in Internal Energy with Temperature
8.16: Molar Heat Capacities
8.17: The Equipartition Principle
8.18: The Famous Equation of Statistical Thermodynamics is Sk ln W
8.19: Entropy Can Be Expressed in Terms of a Partition Function
8.20: The Statistical Definition of Entropy is Analogous to the Thermodynamic Definition
8.21: Practical Absolute Entropies of Gases Can Be Calculated from Partition Functions
8.22: Standard Entropies Depend Upon Molecular Mass and Structure
8.23: Spectroscopic Entropies sometimes disgree with Calorimetric Entropies
09: Molecular Spectroscopy
9.01: The Electromagnetic Spectrum
9.02: Introduction to Spectroscopy
9.03: Rotation of Linear Molecules
9.04: Microwave Rotational Spectroscopy
9.05: The Selection Rule for the Rigid Rotor
9.06: Rotational Spectra of Polyatomic Molecules
9.07: The Harmonic Oscillator and Infrared Spectra
9.08: The Harmonic Oscillator Selection Rule
9.09: Vibrational Overtones
9.10: Vibrational Spectroscopy Techniques
9.11: Rotations Accompany Vibrational Transitions
9.12: Unequal Spacings in Vibration-Rotation Spectra
9.13: Unequal Spacings in Pure Rotational Spectra
9.14: Normal Modes in Polyatomic Molecules
9.15: Irreducible Representation of Point Groups
9.16: Group Theory Determines Infrared Activity
9.17: Raman- Application
9.18: Raman- Theory
10: Electronic Spectroscopy
10.01: Using Atomic Term Symbols to Interpret Atomic Spectra
10.02: The Dynamics of Transitions can be Modeled by Rate Equations
10.03: A Two-Level System Cannot Achieve a Population Inversion
10.04: Population Inversion can be Achieved in a Three-Level System
10.05: What is Inside a Laser
10.06: The Helium-Neon Laser
10.07: Modern Applications of Laser Spectroscopy
10.08: The Beer-Lambert Law
10.09: Electronic Spectra Contain Electronic Vibrational and Rotational Information
10.10: The Franck-Condon Principle
10.11: Electronically Excited Molecules can Relax by a Number of Processes