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.

Inorganic Chemistry for Geochemistry and Environmental Sciences Fundamentals and Applications by George W. Luther III

Submitted by Rachel Narehood Austin / Barnard College, Columbia University on Wed, 01/04/2017 - 16:10
Description

This is a great new textbook by George Luther III from the University of Delaware.  The textbook represents the results of a course he has taught for graduate students in chemical oceanography, geochemistry and related disciplines.  It is clear that the point of the book is to provide students with the core material from inorganic chemistry that they will  need to explain inorganic processes in the environment.

Isotope Effects in Arene C-H Bond Activation by Cp*Rh(PMe3)

Submitted by Adam Johnson / Harvey Mudd College on Wed, 12/28/2016 - 13:20
Description

This literature discussion is based on a paper by Bill Jones and Frank Feher (J. Am. Chem. Soc., 1986, 108, 4814-4819). In this paper, they study the activation of aromatic C-H bonds by a rhodium complex. Through careful experimental design, they were able to examine isotope effects on the selectivity of the reaction. Analysis of the rate data allowed them to prepare a reaction coordinate free energy diagram. This paper also introduces the effects of C-H bond breaking in early or late transition states on the vibrational energy spacing at both ground and excited states.

Understanding the Mechanism of Grubbs-Catalyzed Olefin Metathesis

Submitted by Richard Lord / Grand Valley State University on Wed, 12/28/2016 - 10:42
Description

A literature discussion has been developed for two courses: (i) a more basic set of questions appropriate for a sophomore level course or, possibly, a one semester upper level course that does not spend much time on organometallics, and (ii) an in-depth, in- and out-of-class set of assignments appropriate for an organometallics unit or course. Both sets of questions explore the mechanism of olefin metathesis in first- and second-generation Grubbs catalysts using a variety of spectroscopic kinetic techniques that were presented in the paper Sanford, M. S.; Love, J. A.; Grubbs, R. H. J.

Energetics and mechanisms of reductive elimination from Pt(IV)

Submitted by Adam Johnson / Harvey Mudd College on Tue, 12/27/2016 - 18:29
Description

This literature discussion is based on a paper by Karen Goldberg (J. Am. Chem. Soc., 1995, 117, 6889-6896). In this early paper by Goldberg, she studied the reductive elimination of ethane and methyl iodide from dppePtMe3I. The paper is well written, and approachable for undergraduates. It shows a real, interesting application of thermodynamic and kinetic methods to the study of a problem in mechanistic chemistry.

Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes

Submitted by Abby O'Connor / The College of New Jersey on Thu, 12/15/2016 - 17:28
Description

Reading and understanding a journal article is a critical skill to obtain as a student. After college, many students will pursue careers in which learning occurs exclusively from the literature. Students  will read a full paper from the journal Inorganic Chemistry and answer guiding questions pertaining to the article. There will be an in class discussion about the article to introduce which is used to introduce the topic of catalysis. This assignment breaks down the article through a series of questions that helps students to navigate a journal article.

Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes: New Mechanism for Carbonyl Insertion

Submitted by Matthew Riehl / Minnesota State University, Mankato on Thu, 06/30/2016 - 20:59
Description

The article “Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO; Implications for a Unique Mechanism for Migratory Insertion,” Robbins, LK; Lilly, CP; Smeltz, JL; Boyle, PD; Ison, EA;, Organometallics 2015, 34, 3152-3158 is an interesting read for students studying reaction mechanisms of organometallic complexes.  The reading guide directs students to the sections of the paper that support the question posed in the Discussion Questions document. 

Working with Catalytic Cycles

Submitted by Matt Whited / Carleton College on Mon, 09/28/2015 - 14:05
Description

Students work in groups to identify relevant steps and intermediates in 3 catalytic cycles, all the while considering bonding (and electron counting) factors.  Following assignment of these steps and intermediate species, the students consider several questions related to catalysis more broadly, particularly the role of each reagent, how to speed up or slow down specific steps, and the importance of regiospecificity in certain steps.