Orbital Overlap Worksheet
This exercise was developed to help students predict bonding between s,p and d atomic orbitals.
This exercise was developed to help students predict bonding between s,p and d atomic orbitals.
This activity is meant to teach students an MO theory interpretation of hypervalency that goes beyond the simple (and somewhat unsatisfying) explanation that atoms that are in the third row and below use d-orbitals for bonding in addition to s- and p-orbitals. Specifically, students will be learning how to construct MO diagrams for multicenter bonding schemes (i.e., 3c4e).
This presentation provides a short introduction to Quantitative Structure-Activity Relationships and its use in Inorganic Chemistry. A brief introduction to Linear-Free Energy Relationships and the Hammett Equation is given, followed by three examples of how QSARs have been used in inorganic chemistry.
This in-class activity traces the many contributions leading to the correct assignment for the solid-state structure of triiron dodecacarbonyl, [Fe3(CO)12], with the aim of reinforcing ideas about IR spectroscopy and group theory. I give this activity to my advanced inorganic chemistry class (graduate students and senior undergrads). The activity is loosely based on the paper: Desiderato, R., Jr.; Dobson, G. R. J. Chem. Educ. 1982, 59, 752-756 and incorporates questions about symmetry and group theory for metal carbonyls.
Students work individually, then compete in teams, to identify symmetry elements and operations present in a high-symmetry structure, such as an octahedron or tetrahedron (without showing the character table until the end of the activity). Students often visualize symmetry elements differently from one another. Creating teams, allows them to work collaboratively, and the competition adds an incentive for finding the most elements. Since some students are better at seeing some symmetry elements (and operations) than others, it allows for them to work in small groups to both teach and lea
Chimera is a program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies, sequence alignments, docking results, trajectories, and conformational ensembles. High-quality images and animations can also be generated. Chimera includes documentation and tutorials, and can be downloaded free of charge for academic, government, non-profit, and personal use. Chimera was developed at UCSF and was funded by the National Institute of Health.
These Learning Objects were used in an advanced undergraduate chemistry course that used computational chemistry as an integrative tool to help students deepen their understanding of structure, bonding, and reactivity and practice their integrative expertise by addressing complex problems in the literature and in their own research.
All chemistry is learned best by "doing," and I believe this is especially true for determining molecular symmetry. This activity was designed to end a three-part lecture/activity on symmetry and point groups for my advanced inorganic class. I call this unit on symmetry a lecture/activity series because it was designed to be student-guided learning and requires the students to teach each other how to determine a molecular point group. I only gave one formal lecture on symmetry and point groups, which was followed by the symmetry scavenger hunt activity LO. Finally this assignment was do
We have prepared a YouTube video demonstrating a visually accessible kinetic isotope effect in the Cr(VI) oxidation process, a reaction commonly encountered in introductory organic chemistry. The demo provides students with an opportunity to see an isotope effect and then understand how it can be used to provide mechanistic evidence for the identification of a rate-determining reaction step.
My first computational collection