Moleculuar Computation and Visualization in Undergraduate Education (MoleCVUE)

Submitted by Kevin Range / Commonwealth University of Pennsylvania on Fri, 08/09/2024 - 13:01
Description

The MoleCVUE website contains several items that should be of interest to the VIPEr community, especially the activities.  Each activity is designed to be ready to deploy in lecture, laboratory, or as homework.  There are activities covering all of the major subdisciplines of chemistry (some more than others).  Some activities that might be of particular interest to VIPEr are "Group Theory", "VSEPR", and "Electron Configurations of Atoms and Ions".  All of the activities are written to use WebMO, but could be adapted for other systems.  Most activities are doable with the free or demo versi

Catalytic dechlorination of PVC
Description

This LO was inspired by a talk that Megan Fieser gave at the 2024 Organometallic Chemistry Gordon Research Conference. It was an excellent talk with some really interesting chemistry. Wanting something with practical application for my class focused on organometallic chemistry, I looked at one of her 'older' papers and found this really interesting rhodium catalyst. In the main paper for this LO (Mater. Horiz. 2023, 10, 2047), the catalytic dechlorination of poly(vinyl chloride) (PVC) using a rhodium pincer complex is described.

Chip Nataro / Lafayette College Wed, 07/24/2024 - 08:18

CFT and Spectroscopy

Submitted by Caleb Brown / Virginia Military Institute on Mon, 05/13/2024 - 10:18
Description

This activity has students make observations on a series of metal complexes with varying geometries and electronic structures (tetrahedral vs octahedral, d7 vs d0). They are then led to develop hypotheses to explain the differences in their spectra based on crystal field theory and their understanding of selection rules. Finally, students inspect theoretical calculations to determine whether their hypotheses based on observation are supported by theory.

SLiThEr #59: Inclusive leadership - Your role in creating cultures of belonging

Submitted by Chip Nataro / Lafayette College on Fri, 04/05/2024 - 15:38
Description

Marilyn Mackiewicz (Oregon State University) is the 2020 awardee of the Stanley C. Israel Regional Award for Advancing Diversity in the Chemical Sciences from the ACS. Her unique story and experiences are presented, along with how faculty can make their spaces and themselves more welcoming.

Orca Computational Chemistry Tutorials (Neese)

Submitted by Amanda Reig / Ursinus College on Thu, 04/04/2024 - 13:53
Description

Frank Neese was honored with the 2024 ACS Award in Inorganic Chemistry for outstanding accomplishments in combining high-level theory with experiment to obtain insight into the properties and reactivities of transition-metal complexes and metalloenzymes. 

His major contributions to the field have been through the development and dissemination of his free computational modeling software program ORCA, which is used by thousands of researchers across the fields of inorganic and bioinorganic chemistry.

Energetics of Formate Adsorption on Cu(111) by Calorimetry (Campbell)

Submitted by Nicole Crowder / University of Mary Washington on Fri, 03/15/2024 - 18:45
Description

This literature discussion LO was created for the ACS National Award Winners 2024 collection. Dr. Charles Campbell was the recipient of the 2024 Gabor A. Somorjai Award for Creative Research in Catalysis. This LO is based on the article "Energetics of Adsorbed Formate and Formic Acid on Cu(111) by Calorimetry,” (ACS Catal.

The elusive tetrabenzylthorium compound (Bart)

Submitted by Joanne Stewart / Hope College on Thu, 03/14/2024 - 20:09
Description

This literature discussion learning object describes the isolation and structure of tetrabenzylthorium, a molecule that was synthesized many years ago but was never thoroughly characterized.

1FLO: Introduction to Borylene Ligands (Braunschweig)

Submitted by Shirley Lin / United States Naval Academy on Thu, 03/14/2024 - 09:55
Description

This literature discussion LO was created for the ACS National Award Winners 2024 collection. Dr. Holger Braunschweig was the recipient of the 2024 M. Frederick Hawthorne Award in Main Group Inorganic Chemistry. This LO is based on a figure from the article "Transition metal borylene complexes" published in Chem. Soc. Rev., 2013, 42, 3197. DOI: 10.1039/c3cs35510a.

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