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).
(1) Student choses and reads a journal article of his/her choice that is related to a topic we have discussed during the semester. (i.e. atomic structure, MO theory, group theory, solid state structure, band theory, coordination chemistry, organometallics, catalysis). Suggested journals include, but are not limited to JACS, Inorg. Chem., Organometallics, Angew. Chem., JOMC, Chem. Comm.)
(2) Student answers the following questions regarding their chosen article:
(a) Describe, in 1 or 2 sentences the goal of this work.
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.
This series of (not five) slides introduces X-ray absorption spectroscopy (XAS), specifically XANES (X-ray absorption near-edge structure). There is background in basic theory, the general technique including synchrotron radiation sources, and two specific examples from the literature that apply XANES spectra to (1) oxidation state and effective nuclear charge of sulfur in various compounds such as sulfates, and (2) measurement of energy levels in MO diagrams of coordination compounds (i.e., LFT). Point (2) is analogous to showing PES peaks alongside MO diagrams for diatomics.
In this project students are asked to reproduce published calculations of molecular orbital energies of a series of derivatized fullerenes and correlate them with published reduction and oxidation potentials obtained from cyclic voltammetry. The particular subset of the derivatives to be studied are chosen by the student and this choice is part of the learning activity. The students then carry out additional calculations using other theoretical models to see whether they improve the correlation between computed and experimental properties.
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
Students in a sophomore-level inorganic chemistry course were asked to read the paper “High-Pressure Synthesis and Characterization of the Alkali Diazenide Li2N2” (Angew. Chem. Int. Ed. 2012, 51, 1873-1875. DOI: 10.1002/anie.201108252) in preparation for a class discussion. For many students, this was a first exposure to reading the primary literature.
This website is a free and comprehensive resource that is a collection of open college courses that spans videos, audio lectures, and notes given by professors at a variety of universities. The website is designed to be friendly and designed to be easily accessed on any mobile device.
Maggie Geselbracht has a great fondness for compounds with too many nitrogen atoms next to each other. This is a collection of problem sets and class activites based on the structure, bonding, and spectroscopy of a number of such compounds, drawn from the recent literature.