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This two-part activity offers an integrated approach to understanding molecular orbitals and molecular geometry. In class, students will first engage in a hands on, qualitative construction of the H2O molecular orbital diagram using symmetry principles and a whiteboard. Outside of class, they will utilize Spartan computational software to quantitatively calculate molecular orbital energies, construct Walsh diagrams illustrating how orbital energies change with molecular geometry for H2O and H2S, and explore the factors influencing their preferred bond angles and overall molecular structure.
| Attachment | Size |
|---|---|
| H2O MO diagram class activity with transparent orbital printout sheets | 246.51 KB |
| H2A MO Spartan activity | 87.59 KB |
- Qualitatively construct and interpret MO diagrams using symmetry principles.
- Utilize Spartan software for quantitative molecular orbital and geometry calculations.
- Understand and create Walsh diagrams to explain molecular shapes.
- Relate theoretical MO concepts to computational results.
- Analyze factors affecting molecular geometry/structure, orbital energies, and total energy.
Whiteboard and markers, printed transparent orbital cutouts, scissors, tape, and computers with Spartan software installed.
A crucial prerequisite is a solid grasp of molecular symmetry, encompassing the identification of symmetry elements, assigning point groups (particularly C2v), and interpreting character tables to deduce the symmetry labels of atomic orbitals. While the activity guides the construction of molecular orbitals, a conceptual introduction to molecular orbital theory, such as the principles of atomic orbital overlap and the formation of bonding and antibonding interactions, will significantly enhance their learning experience.
Evaluation
For the initial whiteboard activity, student comprehension will be assessed based on the accuracy of their constructed H2O molecular orbital diagram, the correct application of symmetry principles, and the clarity of their answers to conceptual questions. The subsequent take home Spartan activity will be evaluated by the successful execution of computational calculations, the accuracy of collected numerical data, the quality of generated Walsh diagrams, and the depth of their responses to questions that require interpretation of computational results, comparison between different molecules, and the integration of theoretical principles.
In the class activity, students demonstrated a clear understanding of how molecular symmetry governs MO formation and molecular geometry, as evidenced by their qualitative MO diagram drawn on the whiteboard and responses to the questions in the handout. This was further enhanced by their successful use of Spartan to quantitatively calculate MO energies, construct Walsh diagrams, and analyze how geometry changes affect the electronic structure, effectively bridging theoretical concepts with computational results.