Groups of 2-4 students (depending on class size) are each assigned a different collaborative project that involves using DFT calculations to evaluate some of the principles of inorganic structure and bonding developed in lectures throughout the semester.  Each “project” involves comparing the computed properties (spectroscopic (IR), geometric,or relative energies) of a series of molecules and drawing conclusions about the observed differences using concepts developed in class.

This is an in class exercise that I use to introduce structure and magnetism to a junior/senior level course on bioinorganic chemistry. The class is cross-listed between Chemistry and Biochemistry. All of the students have had general chemistry and organic (with some exposure to MO Theory). Many of the students have also had the sophomore-level inorganic course, which delves extensively into MO theory, and some of the the students have also had the senior-level course on transition metal chemistry which looks deeply at d-orbital splitting.

For years, I spent 2-3 days a semester working through Tanabe-Sugano diagrams, their development from terms, their evolution from Orgel diagrams, their analysis to give transition energies (the old ruler- trial and error analysis) and nephalauxetic parameters.  Recently, colleagues in VIPEr convinced me that my time in class could be better spent, but I am not willing to completely give up on Tanabe-Sugano.

This Lewis structure and VSEPR problem is based on a paper from Inorganic Chemistry in 2010 reporting the crystal structures of a series of salts of the [XeF]⁺ cation.  The [MF₆]^– and [M₂F₁₁]^– anions (M = As, Sb, Bi) were used as counterions, and in all cases, the [XeF]⁺ cation interacts with the anion via a weak bond between the Xe and a fluoride of the anion to form an ion-pair in the crystalline solid.  These somewhat unusual ions provide an interesting application of the predictive powers of Lewis stru

This Lewis structure and VSEPR problem is based on a paper from Inorganic Chemistry in 2010 reporting the crystal structure of the carbonyl diazide molecule.  This relatively simple molecule provides an interesting application of the predictive powers of Lewis structures and VSEPR theory to molecular structure, backed up by experimental data on bond distances and bond angles.  Before tackling carbonyl diazide, the students warm up by considering the structures of hydrogen azide and the isolated azide ion.  The reference to the original paper is

For the past four years, I have required my inorganic students to write short 3-page formal lab reports in the form of communication to the Journal of the American Chemical Society.  This exercise has relieved some of the stress on my students who are writing reports of other science classes and simplified my grading.  Using Jeffrey Kovac's Writing Across the Chemistry Curriculum: An Instructor's Handbook as a starting point, I have developed a rubric to provide qualitative feedback to the stu