When teaching reactions and mechanisms of inorganic complexes, I tend to get to the end of the chapter (out of breath) and find myself thinking "*$#&, I forgot about electron transfer". While I think it is important that students get an understanding of this in an upper level inorganic course, I simply don't have, or forgot to budget the time to really talk about it.
I would use this VERY brief introduction to computational chemistry in my inorganic course to preface a computational based assignment. While one learning goal for such an assignment might be familiarity with WebMO/Gaussian, understanding the background and theory of computational chemistry would generally be beyond the scope of the inorganic course. However, I certainly want students to have some idea of what they are doing when they perform a calculation (optimization and frequency analysis of metal carbonyls, for example). I've also included here handouts I use to explain how to use W
After several days of lecturing on the topic of polyatomic molecular orbital diagrams, students break into small groups of 3-4 and form LGO’s that can be used to interact with a central atom to form a Molecular Orbital (MO) diagram. This assignment is part of a larger 4-5 week unit on MO theory.
Relative metal-hydrogen, -oxygen, -nitrogen, and -carbon bond strengths for organoruthenium and organoplatinum compounds; equilibrium studies of Cp*(PMe3)2RuX and (DPPE)MePtX systems
Henry E. Bryndza, Lawrence K. Fong, Rocco A. Paciello, Wilson Tam, John E. Bercaw
J. Am. Chem. Soc.; 1987 ; 109(5); 1444-1456.
This paper discusses the synthesis and characterization of a novel compound of nitrogen. The pre-discussion assignment asks students draw a Lewis structure for the N5+ cation, and using the tools of group theory, conduct a normal mode vibrational analysis, comparing the results to the experimental Raman spectral data.