Band Structures, Electronic and Optical Properties of Metals, Semiconductors, and Insulators

Submitted by Maggie Geselbracht / Reed College on Tue, 06/25/2013 - 00:32

I created this Collection of Learning Objects (LOs) at the IONiC VIPEr TUES 2013 Workshop: Solid State Materials for Alternative Energy Needs held at Penn State University.  The overall theme of the Collection is electronic and optical properties of metals, semiconductors, and insulators.  Most of the learning objects either require knowledge of or explicitly refer to band structures, either at a basic level or a more advanced level.  Some LOs also deal with extended structures, un

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.

Virtual Schlenk Line

Submitted by Amanda Reig / Ursinus College on Mon, 06/24/2013 - 10:10
Description

This website provides a link to a simple downloadable program that introduces students to a Schlenk line through a series of short animations.  It is designed for Windows (does not appear to work on Windows 8 or on Macs).  While a bit rudimentary, it does a nice job of showing students the basic setup, discussing safety concerns with the liquid nitrogen trap, and outlining the general procedure for starting up and shutting down the Schlenk line.

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

Databases for Kinetics

Submitted by Adam Johnson / Harvey Mudd College on Mon, 06/03/2013 - 15:02
Description

I recently came across some web resources for teaching kinetics. They are searchable compilations of kinetics data, principally gas-phase. Two of the sites include "recommended" data for use in simulations.

I describe the four sites here and the URLs are here and below.

http://jpldataeval.jpl.nasa.gov/
This is a critical tabulation of the latest kinetic and photochemical data for use by modelers in computer simulations of atmospheric chemistry

[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.

 

Inorganic Chemistry Forums

Submitted by Adam Johnson / Harvey Mudd College on Fri, 04/26/2013 - 12:55
Description

Beginning with Volume 43, Issue 25, Inorganic Chemistry began publishing Forums.

Inorganic Chemistry Forums consist of a set of thematically linked papers from leading scientists on a multidisciplinary topic of growing interest. Papers present overviews, research perspectives and original research reports on the Forum theme and are highlighted on the cover of the journal issue in which they appear.

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.