Suggested Curriculum for AP and IB Chemistry

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Computational chemistry is a powerful tool for introducing, exploring, and applying concepts encountered throughout the chemistry curriculum.  The aim of these lessons is to provide students and/or instructors ways to interact with selected topics using the QuantumChemistry package exclusively within Maple with no need to collate multiple software packages!   Lessons are written to emphasize learning objectives rather than Maple coding.   However, in order to show students and instructors how the calculations are set up,  each lesson contains the Maple syntax and coding required to interact with the selected topic.  In some cases, questions are asked of the student with the answer provided as a subsection.   As such, each lesson can be used 'as-is' or modified as desired to be used by students in a classroom setting, laboratory setting, or as an out of class guided inquiry assignment.

The lessons in the QuantumChemistry package can be used to teach key concepts in the chemistry curricula for Advanced Placement (AP) Chemistry and International Baccalaureate (IB) Chemistry in secondary schools.  While lessons are largely independent of each other and may be done in any order, the numbering follows a traditional approach in which lessons 1-9 cover atomic structure and chemical bonding, periodic trends, molecular geometry, ideal and real gases, and thermodynamics.  These lessons are followed by 3 optional, advanced lessons that cover advanced topics in atomic structure and chemical bonding from a quantum perspective.   Lesson 1 (Atomic Structure) explores the structure of the atom, both its discovery and its science.  Lesson 2 (Chemical Bonding) teaches the nature of the chemical bond between atoms.   Lesson 3 (Periodic Trends in Atomic IEs) considers periodic trends in ionization energies of atoms by calculating atomic orbital energies of neutral and cation species explicitly.  Lesson 4 (VSEPR) explains molecular geometries from valence-shell electron-pair repulsion theory.  Lessons 5 (Maxwell-Boltzmann Distribution ) investigates the Maxwell-Boltzmann distribution of molecular speeds in ideal gases.  Lesson 6 (Heat Capacity) computes and compares heat capacities of ideal and real gases.  Lessons 7-9 (Enthalpy, Entropy and Free Energy, and Thermodynamics of Combustion Reactions) calculate thermodynamic functions such as internal energy, enthalpy, entropy, and Gibbs free energy.   The following three (starred) lessons provide introductions to advanced topics: Lessons 10* ( Photoelectric Effect) correspond to early experiments related to the quantization of energy.   Lesson 11* (Molecular Orbitals) focuses on molecular orbital theory as applied to hydrogen fluoride.  Lesson 12* (Koopman's Theory and Molecular IEs) also relies on the calculation of periodic trends in ionization energies but uses Koopman's approximation method for determining IEs.  

1. Atomic Structure

This lesson explores the structure of the atom, both its discovery and its science.

2. Chemical Bonding

This lesson teaches the nature of the chemical bond between atoms.

3. Periodic Trends in Atomic Ionization Energies

This lesson explores periodic trends in atomic ionization energies using Hartree-Fock (or related electronic structure method) to calculate ionization energies of atoms explicitly.

4. VSEPR

This lesson explains molecular geometries from valence-shell electron-pair repulsion theory.

5. Maxwell-Boltzmann Distribution

This lesson investigates the Maxwell-Boltzmann distribution of molecular speeds in ideal gases.

6. Heat Capacity of Ideal and Real Gases

This lesson computes and compares heat capacities of ideal and real gases.

7. Enthalpy

This lesson calculates the enthalpy for the combustion of carbon monoxide.

8. Entropy and Free Energy

This lesson calculates the entropy and Gibbs free energy for the combustion of carbon monoxide.

9. Thermodynamics of Combustion Reaction

This lesson computes the enthalpy, entropy, and Gibbs free energy for the combustion of methane.

10*. Photoelectric Effect

This lesson uses the photoelectric effect to find an 'empirical' fit to Planck's constant.

11*. Molecular Orbitals

This lesson emphasizes the linear combination of atomic orbitals (LCAO) approach to calculating molecular orbitals for hydrogen fluoride.

12*. Koopman's Theorem and Molecular Ionization Energies

This lesson uses Koopman's theorem to approximate ionization energies of small binary compounds.