A Jablinko game to promote learning of excited state transitions

Submitted by Alycia Palmer / The Ohio State University on Wed, 06/11/2014 - 09:48
Description

The in-class game Jablinko was designed to make learning excited state transitions fun. To play, a student chooses an excited state by placing a game chip at the top of the board, then the chip can “vibrationally cool” by bouncing through the pegs, and finally “transition” to a lower energy state in the bottom row. The students then compete to be the first to name the transition (e.g. S1 to T1 is called intersystem crossing).

Water Oxidation Catalyzed by NHC Complexes of Iridium

Submitted by Peter M Graham / Saint Joseph's University on Wed, 02/19/2014 - 12:08
Description

A literature discussion based on an interesting paper from Bernhard and Albrecht about a catalytic water oxidation promoted by irdium complexes featuring abnormal/mesoionic NHC ligands.

I used this in an upper-level Organometallics course after discussing NHC ligands in class.

 

Synthesis and Migratory-Insertion Reactivity of CpMo(CO)3(CH3): Small-Scale Organometallic Preparations Utilizing Modern Glove-Box Techniques

Submitted by Matt Whited / Carleton College on Mon, 08/26/2013 - 14:22
Description

This laboratory experiment spans three weeks and introduces advanced undergraduates to modern small-scale synthesis techniques involving an inert-atmosphere glove box.  The robust syntheses transform [CpMo(CO3]2 into the methylated CpMo(CO)3(CH3) and examine the phosphine-induced migratory insertion to form various Cp-supported Mo(II) acetyl complexes.  At each step in the synthesis, a combination of IR and multinuclear (1H, 13C, and 31P) NMR spectroscopies allow students to assess the purity of their products and

QSAR and Inorganic Chemistry

Submitted by Vanessa / Albion College on Thu, 06/27/2013 - 14:59
Description

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. 

Literature summary through student presentation - free choice of topic.

Submitted by Cameron Gren / University of North Alabama on Wed, 06/26/2013 - 07:59
Description

(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. 

Trends in Measured Redox Potentials and Computed Molecular Orbital Energies of Derivatized Buckminsterfullerenes

Submitted by Robert Q. Topper / Cooper Union on Tue, 06/25/2013 - 01:55
Description

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.

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.

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.

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.

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