This in-class activity is to introduce the pairing of diatomic MO diagrams and photoelectron spectroscopy (PES). I will be testing this out in the fall, and will post how it goes.
Introducing you to 3DMolSym: A Web Resource for Teaching Molecular Symmetry that uses Adobe Shockwave for Visualizations and Animations.
Note there is a slight difference when operating this resource on a Mac or in a Windows Operating Systerm. On a Mac if you don't change an item (any item) in the pull down menu on the right when the resouce opens, the selection of molecules will be frame shifted by one molecule. An easy fix is described in the Description below.
This in-class activity walks students through the preparation of a molecular-orbital diagram for methane in a square-planar environment. The students generate ligand-group orbitals (LGOs) for the set of 4 H(1s) orbitals and then interact these with carbon, ultimately finding that such a geometry is strongly disfavored because it does not maximize H/C bonding and leaves a lone pair on C.
Having been inspired by a number of wonderful LOs, I introduced group theory in my 'sophomore' inorganic class this spring. In addition to learning to determine the point group of a molecule, students were taught how to construct a qualitative MO diagram though the use of LGOs. While a little more than 5 slides, this is what I used in lecture to cover the material.
Having been inspired by a number of wonderful LOs, I introduced group theory in my 'sophomore' inorganic class this spring. In addition to learning to determine the point group of a molecule, students were taught how to construct a qualitative MO diagram though the use of LGOs. While this course can be taken with or without the laboratory component, it seemed only natural to include a lab on this material. A previous lab had introduced the students to computational methods for geometry optimization.
Two excellent video presentations on symmetry. The Ted Talk by Marcus du Sautoy is an excellent introduction to the concept of symmetry and systematically describing it. In "Impossible Crystals" Nobel Laureate and physicist Paul Steinhardt discusses the creation of "Impossible crystals": quasi-crystals with five-fold symmetry previously believed impossible.
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.