Quantum Chemistry

1. Chemical Bonding Theory
   1. Quantum Mechanical Model of Bonding
      1. Fundamentals of Quantum Mechanics in Bonding
         1. Role of Electrons
         2. Potential Energy and Electron Distribution
         3. Quantum Nature of Electrons in Bonds
      2. Bond Formation Dynamics
         1. Energy Considerations in Bond Formation
         2. Electron Sharing and Transfer
         3. Bond Lengths and Angles
      3. Covalent Bonding
         1. Single, Double, and Triple Bonds
         2. Electronegativity and Covalent Character
         3. Bond Energy and Bond Length Relationships
         4. Polar vs. Nonpolar Covalent Bonds
            1. Dipole Moments
            2. Molecular Polarity and Its Effects
      4. Ionic Bonding
         1. Formation of Ionic Compounds
         2. Energy Change Involved in Electron Transfer
         3. Lattice Energy and Its Influence on Bonding
         4. Ionic Character and Covalent Character: A Spectrum
   2. Orbital Theory
      1. Atomic Orbitals
         1. Shapes and Orientations of s, p, d, and f Orbitals
         2. Quantum Numbers and Their Role in Defining Orbitals
         3. Energy Levels and Shells
         4. Electron Configurations
            1. Aufbau Principle
            2. Pauli Exclusion Principle
            3. Hund’s Rule
      2. Molecular Orbitals
         1. Linear Combination of Atomic Orbitals (LCAO)
         2. Bonding and Antibonding Molecular Orbitals
            1. Energetic Considerations and Stability
         3. Sigma and Pi Bonds
            1. Formation and Characteristics
            2. Comparison of Sigma and Pi Bonds
         4. Hybridization
            1. sp, sp2, sp3 Hybridization and Their Geometries
            2. Hybridization in Different Molecular Structures
            3. Exceptions to Typical Hybridization Patterns
         5. Molecular Orbital Diagrams
            1. HOMO and LUMO Concepts
            2. Energy Level Diagrams for Different Molecules
            3. Paramagnetism and Diamagnetism Deduced from MOs
   3. Methods for Investigating Chemical Bonding
      1. Spectroscopic Techniques in Bond Investigation
         1. Analysis of Bond Energies and Lengths
         2. Use of IR and UV-Vis Spectroscopy for Bond Analysis
      2. Computational Methods in Bonding
         1. Molecular Modeling
         2. Simulations of Bonding Processes
         3. Visualization of Orbitals and Electron Densities
   4. Advanced Concepts in Bonding Theory
      1. Resonance and Delocalization
         1. Resonance Structures and Stability
         2. Delocalized Electrons and Their Role in Stabilization
      2. Aromaticity and Anti-Aromaticity
         1. Criteria for Aromaticity
         2. Huckel’s Rule Application
         3. Aromatic Compounds and Their Bonding Nature
      3. Metal-Ligand Bonding
         1. Coordination Chemistry Principles
         2. Crystal Field Theory
         3. Ligand Field Theory and Applications
         4. Bonding in Transition Metal Complexes
   5. Current Research and Developments in Bonding Theory
      1. Developments in Beyond-Covalent Interactions
         1. Hydrogen Bonding
         2. van der Waals Forces
      2. Emerging Bonding Theories and Models
         1. Quantum Chemical Computational Advances
         2. Novel Bond Types: Two-center, Three-electron Bonds
      3. Applications of Bonding Knowledge
         1. Material Science Innovations
         2. Pharmaceutical Advancements
         3. Nanotechnology and Molecular Engineering