The literature discussion is based on a manuscript by Gunnoe and coworkers (ACS Catal. 2021, 11, 5688-5702. DOI: 10.1021/acscatal.1c01203). The paper presents mechanistic studies of catalytic oxidative conversion of arenes and olefins to alkenyl arenes with a focus on styrene production.
This spreadsheet uses the Eyring equation to draw a connection between activation barriers and the timescale of a reaction. Students input a free energy of activation and can quickly see how long a reaction will take at varying temperatures. This has been particularly useful in computational sections of literature articles that investigate possible mechanistic pathways.
This collection accompanies the IONiC VIPEr nanoCHAt video series NeWBiEs, recorded in Spring 2022. This series is comprised of weekly conversations with two IONiC members, Wes Farrell and Shirley Lin from the US Naval Academy, as they taught a foundation-level inorganic chemistry course for the first time. The LOs discussed in the videos are included in this collection.
Drs. Lori Watson (Earlham), Adam Johnson (Harvey Mudd), and Kyle Grice (DePaul) discuss how they have incorporated computational methods into their teaching and research, how to get started with computations, and some useful resources. The link is https://www.youtube.com/watch?v=E36Mg0OKFKU
Dr. Ulrich Fekl gave a very interesting presentation on Lewis Structures and sd/sd2 hybridization of organometallic compounds! This is the recording for SLiThEr #28. The link is https://www.youtube.com/watch?v=dKccyTW7FOE
This literature discussion involves various aspect of organometallic chemistry ranging from synthesis, reactions, symmetry, NMR and IR spectroscopy of organometallic compounds as well as catalysis.
Students are asked to read the article published in Angewandte Chime, and answer the questions from the worksheet. Students later discuss their answers with the entire class.
This article from Organometallics 2000 describes the use of Cp* amido titanium constrained geometry catalysts for the carboalumination of alkenes.
The Safety Net (highlighted in a BITeS post) is a great online resource for crowd-sourced standard operating procedures established by Prof. Alexander J. M. Miller (University of North Carolina at Chapel Hill) and Prof. Ian A. Tonks (University of Minnesota – Twin Cities). It primarily contains SOPs from the Miller and Tonks research groups, but they invite submissions from the chemistry community. It is a treasure trove of useful information, safety resources, and links to physical property databases.
In searching for a way to review topics before exams, I was informed about this powerpoint template which is macro'd to be operated as a realistic Jeopardy game. The site for the original author of the macro is:
https://sites.google.com/site/dufmedical/jeopardy
(Jeopardy for PowerPoint by Kevin R. Dufendach is licensed under a Creative Commons Attribution 3.0 United States License.)
The O'Hare group has studied complexes of the permethylpentalene ligand, and recently reported the reaction of a zirconium complex of this ligand with CO2 to form the carbamate. A series of three different complexes were prepared, each with slightly different products upon reaction with CO2, illustrating subtle differences in reactivity based on either sterics or electronics. To further tangle the web, entropic and enthalpic considerations can also be considered.