External

CH 332 Physical Chemistry II

This text address 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.

Chemistry

Publisher: Bethune-Cookman University
Source: LibreTexts
Language: EN
Category: Basic Sciences

Read online Download PDF (open licence)

Contents· 176 sections

AGENDA
Rethinking Hybridization
Homework
01 Homework 1
01 Solutions 1
02 Homework 2
02 Solutions 2
03 Homework 3
03 Solutions 3
04 Homework 4
04 Solutions 4
05 Homework 5
05 Solutions 5
06 Solutions 6
06 Solutions 6a
07 Homework 7
07 Solutions 7
08 Homework 8
08 Solutions 8
09 Homework 9
09 Solutions 9
10 Homework 10
10 Solutions 10
11 Homework 11
11 Solutions 11
12 Homework 12
12 Solutions 12
13 Homework 13
13 Solutions 13
14 Homework 14
14 Solutions 14
15 Homework 15
15 Solutions 15
Text
6: The Hydrogen Atom
6.0E: 6.E: The Hydrogen Atom (Exercises)
6.01: The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly
6.02: The Wavefunctions of a Rigid Rotator are Called Spherical Harmonics
6.03: The Three Components of Angular Momentum Cannot be Measured Simultaneously with Arbitrary Precision
6.04: Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers
6.05: s-orbitals are Spherically Symmetric
6.06: Orbital Angular Momentum and the p-Orbitals
6.07: The Helium Atom Cannot Be Solved Exactly
7: Approximation Methods
7.0E: 7.E: Approximation Methods (Exercises)
7.01: The Variational Method Approximation
7.02: Linear Variational Method and the Secular Determinant
7.03: Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters
7.04: Perturbation Theory Expresses the Solutions in Terms of Solved Problems
8: Multielectron Atoms
8.0E: 8.E: Multielectron Atoms (Exercises)
8.01: Atomic and Molecular Calculations are Expressed in Atomic Units
8.02: Perturbation Theory and the Variational Method for Helium
8.03: Hartree-Fock Equations are Solved by the Self-Consistent Field Method
8.04: An Electron Has an Intrinsic Spin Angular Momentum
8.05: Wavefunctions must be Antisymmetric to Interchange of any Two Electrons
8.06: Antisymmetric Wavefunctions can be Represented by Slater Determinants
8.07: Hartree-Fock Calculations Give Good Agreement with Experimental Data
8.08: Term Symbols Gives a Detailed Description of an Electron Configuration
8.09: The Allowed Values of J - the Total Angular Momentum Quantum Number
8.10: Hund's Rules Determine the Term Symbols of the Ground Electronic States
8.11: Using Atomic Term Symbols to Interpret Atomic Spectra
9: Chemical Bonding in Diatomic Molecules
9.0E: 9.E: Chemical Bond in Diatomic Molecules (Exercises)
9.01: The Born-Oppenheimer Approximation Simplifies the Schrodinger Equation for Molecules
9.02: The H Prototypical Species
9.03: The Overlap Integral
9.04: Chemical Bond Stability
9.05: Bonding and Antibonding Orbitals
9.06: A Simple Molecular-Orbital Treatment of H Places Both Electrons in a Bonding Orbital
9.07: Molecular Orbitals Can Be Ordered According to Their Energies
9.08: Molecular-Orbital Theory Does not Predict a Stable Diatomic Helium Molecule
9.09: Electrons Populate Molecular Orbitals According to the Pauli Exclusion Principle
9.10: Molecular Orbital Theory Predicts that Molecular Oxygen is Paramagnetic
9.11: Photoelectron Spectra Support the Existence of Molecular Orbitals
9.12: Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules
9.13: An SCF-LCAO-MO Wave Function Is a Molecular Orbital Formed from a Linear Combination of Atomic Orbitals and Whose Coefficients Are Determined Self-Consistently
9.14: Molecular Term Symbols Describe Electronic States of Molecules
9.15: Molecular Term Symbols Designate Symmetry
9.16: Most Molecules Have Excited Electronic States
10: Bonding in Polyatomic Molecules
10.1: Hybrid Orbitals Account for Molecular Shape
10.2: Different Hybrid Orbitals Used for Bonding in Water
10.3: Why is BeH2 Linear and H2O Bent
10.4: Photoelectron Spectroscopy
10.5: The Pi-Electron Approximation of Conjugated Hydrocarbons
10.6: Butadiene is Stabilized by a Delocalization Energy
11: Computational Quantum Chemistry
11.0: Overview of Quantum Calculations
11.1: Gaussian Basis Sets
11.2: Extended Basis Sets
11.3: Orbital Polarization Terms
11.4: The Ground-State Energy of H2
11.5: Quantum Calculations
12: Group Theory - Exploiting Symmetry
12.1: Using Symmetry to Simplify Calculations
12.2: The Symmetry of Molecules
12.3: Symmetry Operations Define Groups
12.4: Symmetry Operations can be Represented by Matrices
12.5: The \(C 3V\) Point Group Has a 2-D Irreducible Representation
12.6: Character Tables
12.7: Relations involving Characters
12.8: Using Symmetry to Predict Zero in a Secular Determinant
12.9: Generating Operators for Irreducible Representations
13: Molecular Spectroscopy
13-01. Different Regions of the Electromagnetic Spectrum Are Used to Investigate Different Molecular Processes
13-02. Rotational Transitions Accompany Vibrational Transitions
13-03. Vibration-Rotation Interaction Accounts for the Unequal Spacing of the Lines in the P and R Branches of a Vibration-Rotation Spectrum
13-04. The Lines in a Pure Rotational Spectrum Are Not Equally Spaced
13-05. Overtones Are Observed in Vibrational Spectra
13-06. Electronic Spectra Contain Electronic Vibrational and Rotational Information
13-07. The Franck-Condon Principle Predicts the Relative Intensities of Vibronic Transitions
13-08. The Rotational Spectrum of a Polyatomic Molecule Depends Upon the Principal Moments of Inertia of the Molecule
13-09. The Vibrations of Polyatomic Molecules Are Represented by Normal Coordinates
13.10: Irreducible Representation of Point Groups
13.11: Time-Dependent Perturbation Theory
13.12: The Selection Rule for the Rigid Rotator
13.13: The Harmonic Oscillator Selection Rule
13.14: Group Theory Determines Infrared Activity
13.E: Molecular Spectroscopy (Exercises)
14: Nuclear Magnetic Resonance Spectroscopy
14.1: Nuclei Have Intrinsic Spin Angular Momenta
14.2: Magnetic Moments Interact with Magnetic Fields
14.3: Proton NMR Spectrometers Operate at Frequencies Between 60 MHz and 750 MHz
14.4: The Magnetic Field Acting upon Nuclei in Molecules Is Shielded
14.5: Chemical Shifts is Sensitive to Chemical Environment of the Nucleus
14.6: Spin-Spin Coupling Results in Multiplets in NMR Spectra
14.7: Spin-Spin Coupling Between Chemically Equivalent Protons Is Not Observed
14.8: The n 1 Rule Applies Only to First-Order Spectra
14.9: Second-Order Spectra Can Be Calculated Exactly Using the Variational Method
15: Lasers Laser Spectroscopy and Photochemistry
15.1: Electronically Excited Molecules
15.2: Transitions Modeled as Kinetics
15.3: Two-Level Systems Cannot Form Population Inversions
15.4: Population Inversion via Three-Level Systems
15.5: Laser Fundamentals
15.6: The Helium-Neon Laser
15.7: High-Resolution Laser Spectroscopy
15.8: Photochemical Dynamics
16: The Properties of Gases
16.01: Gases Behave Ideally if Dilute
16.2: van der Waals and Redlich-Kwong Equations
16.3: A Cubic Equation of State
16.4: The Law of Corresponding States
16.5: The Second Virial Coefficient
16.6: The Repulsive Term in the Lennard-Jones Potential
16.7: Van der Waals Constants in Terms of Molecular Parameters
16.E: The Properties of Gases (Exercises)
17: Boltzmann Factor and Partition Functions
17.01: The Boltzmann Factor Is One of the Most Important Quantities in the Physical Sciences
17.2: The Thermal Boltzman Distribution
17.3: We Postulate That the Average Ensemble Energy Is Equal to the Observed Energy of a System
17.4: The Heat Capacity at Constant Volume
17.5: Express the Pressure in Terms of a Partition Function
17.6: Partition Functions of Systems of Distinguishable Molecules are Products of Molecular Partition Functions
17.7: Partition Function of Indistinguishable Components
17.8: A Molecular Partition Function Can Be Decomposed into Partition Functions for Each Degree of Freedom
17.E: Exercises
18: Partition Functions and Ideal Gases
18.1: The Translational Partition Function of a Monatomic Ideal Gas
18.2: Most Atoms Are in the Ground Electronic State at Room Temperature
18.3: The Energy of a Diatomic Molecule Can Be Approximated as a Sum of Separate Terms
18.4: Most Molecules Are in the Ground Vibrational State at Room Temperature
18.5: Most Molecules Are in Excited Rotational States at Ordinary Temperatures
18.6: Rotational Partition Functions Contain a Symmetry Number
18.7: The Vibrational Partition Function
18.8: The Rotational Partition Function Depends on the Shape of the Molecule
18.9: Molar Heat Capacities
18.E: Partition Functions and Ideal Gases (Exercises)
Workgroup Activities
Workgroup 1: Valence Bond Orbitals for Hydrogen
Workgroup 2: Symmetry and Assigning Point Groups
Workgroup 3: Using Symmetry to Solve Integrals
Workgroup 4: Deriving Selection Rules with Symmetry
Workgroup 5: Translation Partition Function
Workgroup 6: Rotational Partition Functions