Interpreting Reaction Profile Energy Diagrams: Experiment vs. Computation

Submitted by Douglas A. Vander Griend / Calvin College on Sat, 06/23/2018 - 10:56
Description

The associated paper by Lehnert et al. uses DFT to investigate the reaction mechanism whereby a flavodiiron nitric oxide reductase mimic reduces two NO molecules to N2O. While being a rather long and technical paper, it does include several figures that highlight the reaction profile of the 4-step reaction. This LO is designed to help students learn how to recognize and interpret such diagrams, based on free energy in this case. Furthermore, using a simple form of the Arrhenius equation (eq.

Characterization and Investigation of a Binuclear Manganese(III)-Peroxo Metastable Intermediate

Submitted by Anthony L. Fernandez / Merrimack College on Thu, 05/17/2018 - 16:15
Description

In this literature assignment, students are asked to read an article from the primary literature on a binuclear manganese-peroxo complex that is similar to species proposed to be involved in photosynthetic water splitting and DNA biosynthesis. The assignment contains 25 questions that are intended to guide students through the article and help them extract important information about the work. The completed questions are then used as the basis for an in-class discussion of model complexes, which leads to a more advanced discussion on the topic.

Inorganic Chemistry II

Submitted by Chip Nataro / Lafayette College on Mon, 01/15/2018 - 14:03
Description

This course uses molecular orbital theory to explain the electronic structure and reactivity of inorganic complexes. Topics include symmetry and its applications to bonding and spectroscopy, electronic spectroscopy of transition-metal complexes, mechanisms of substitution and redox processes, organometallic and multinuclear NMR.

 

Additional notes

I do not require a formal text but George Stanley's organometallic chemistry 'book' on VIPEr is made available to students (the link is found below).

An ion exchange method to produce metastable wurtzite metal sulfide nanocrystals

Submitted by Janet Schrenk / University of Massachusetts Lowell on Sat, 06/03/2017 - 11:25
Description

In this literature discussion, students use a paper from the literature to explore the synthesis, structure, characterization (powder XRD, EDS and TEM) and energetics associated with the production of a metastable wurtzite CoS phase. Students also are asked define key terms and acronyms used in the paper; identify the goal of the experiments and determine if the authors met their goal. They examine the fundamental concepts around the key crystal structures available.  

 

Quantum Dot Growth Mechanisms

Submitted by Chi / United States Military Academy on Sat, 06/03/2017 - 11:01
Description

This literature article covers a range of topics introduced in a sophomore level course (confinement/particle-in-a-box, spectroscopy, kinetics, mechanism) and would serve as a an end-of-course integrated activity, or as a review activity in an upper level course.

Ligand based reductive elimination from a thorium compound

Submitted by Chip Nataro / Lafayette College on Tue, 05/23/2017 - 16:52
Description

This literature discussion is based on a paper describing the ligand-based reductive elimination of a diphosphine from a thorium compound (Organometallics2017, ASAP). The thorium compound contains two bidentate NHC ligands providing an opportunity to discuss the coordination of these ligands. The ligand-based reduction is very subtle and would be challenging for students to pick up without some guidance. The compound undergoing reductive elimination also presents an excellent introduction into magnetic nonequivalence and virtual coupling.

SOP4CV - A Web Resource for Cyclic Voltammetry Information

Submitted by Gerard Rowe / University of South Carolina Aiken on Fri, 05/05/2017 - 11:00
Description

http://sop4cv.com/

This is a great website created by Dr. Daniel Graham (who has the distinction of publishing a paper featured on TOC ROFL) to give anyone a working understanding of cyclic voltammetry techniques, their physical background, and the interpretation of their results.  

KINETICS - Computations vs. Experiment

Submitted by Teresa J Bixby / Lewis University on Sat, 03/25/2017 - 12:10
Description

<p>This activity has students use Spartan to build an energy diagram for an SN2 reaction as a function of bond length. The activation energy can then be used to determine the rate constant for the reaction. After a few intoductory questions to orient general chemistry students to the organic reaction (with a short class discussion), the instructions lead them step-by-step to build the energy diagram for CH&lt;sub&gt;3&lt;/sub&gt;Cl + Cl- --&gt; Cl- + CH&lt;sub&gt;3&lt;/sub&gt;Cl.

Diverting Wilkinson's Catalyst: Critical Analysis of a Literature Paper

Submitted by Matt Whited / Carleton College on Tue, 02/21/2017 - 18:52
Description

This LO is a problem-set-style literature discussion that leads students through a critical analysis of an interesting but flawed paper from the recent chemical literature.  Students use the questions to help them work through the paper prior to class, providing plenty of raw material for an in-class discussion about various aspects of the work from a mechanistic organometallic perspective.  The questions help students critically analyze substrate tables, spectroscopic data, and computational results from DFT.