Chimera - A Molecular Modeling Program

Submitted by Walter Flomer / St. Andrew's University on Wed, 06/26/2013 - 06:54
Description

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.

Symmetry, Group Theory, and Computational Chemistry

Submitted by Joanne Stewart / Hope College on Mon, 06/24/2013 - 22:46

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.

Lattice Systems Origami

Submitted by Jeremiah / Plymouth State University on Mon, 06/24/2013 - 10:31
Description

Covers the geometries and symmetries of the seven crystal systems in an inquiry-based manner. 2-D paper templates are provided, which the students cut out, fold, and tape together to create 3-D representations of the seven crystal systems: triclinic, monoclinic, orthorhombic, tetragonal, rhombohedral, hexagonal, and cubic. The students can then use these to determine the geometries and symmetries of the systems for themselves.

Student Led Point Group Determinations

Submitted by John Lee / University of Tennessee Chattanooga on Tue, 06/18/2013 - 09:43
Description

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

[RuH(NO3)(CO)2(PPh3)2]: An analysis of the literature

Submitted by Chip Nataro / Lafayette College on Thu, 05/16/2013 - 18:47
Description

The original description of the synthesis of [RuH(NO3)(CO)2(PPh3)2 appears in Inorg. Chem. (Critchlow, P. B.; Robinson, S. D. Inorg. Chem. 1978, 17, 1896). There are eight possible structures for this octahedral isomer (including two sets of enantiomers). Students are shown one of the structures and asked to draw the remaining seven. The authors analyze the spectroscopic data obtained for the compound in order to determine which isomer formed. Unfortunately, there was an error in the analysis.

A DFT Study of Metal Pentacarbonyls

Submitted by Sibrina Collins / College of Arts and Sciences at Lawrence Technological University on Thu, 05/09/2013 - 16:57
Description

Metal carbonyls are the most widely studied organometallic complexes.  This exercise uses Gaussian with the GaussView interface to investigate the role of the metal centers on backbonding to the CO ligand. Density Functional Theory (DFT) methods were used to evaluate two classic metal pentacarbonyls, namely Fe(CO)5 and Ru(CO)5.

 

MO Theory for Organometallic Compounds: Pentalene

Submitted by Zachary Tonzetich / University of Texas at San Antonio on Thu, 04/11/2013 - 16:54
Description

This is an in-class exercise for upper level inorganic students designed to highlight aspects of symmetry, group theory, MO theory, and Hückel theory. The exercise is an expansion of a Problem Set question I give to my Advanced Inorganic Chemistry class. In this activity, students will develop the MO diagram for the π system of the pentalene dianion using the Hückel approach. They will then consider the effect of folding the ring system using a Walsh diagram.

Online Courses Directory

Submitted by Adam Johnson / Harvey Mudd College on Mon, 04/01/2013 - 07:41
Description

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.

Metal-Ligand Multiple Bonds and Frustrated Lewis Pairs

Submitted by Matt Whited / Carleton College on Wed, 10/10/2012 - 14:40
Description

This is a literature-based activity that focuses on a review I recently published as part of a thematic series on C-H activation.

The review highlights similarities between the newly discovered frustrated Lewis pairs and polarized metal-ligand multiple bonds.  There are many ways to use the review, but the attached set of questions focuses on drawing analogies among seemingly diverse types of reactivity using frontier-molecular-orbital considerations.

Colored Note Cards as a Quick and Cheap Substitute for Clickers

Submitted by Chris Bradley / Mount St. Mary's University on Tue, 07/17/2012 - 10:23
Description

For many years I have resisted using clickers, mainly because at our university there is no standard universal clicker. I wanted to keep student costs as low as possible but also desired the type of live feedback during a lecture that clicker questions can provide. In both my general chem. (200-300 students) and upper division courses (50-75 students), I now pass out 4 or 5 colored notecards on the first day of class and make sure everyone has one of each color.