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

Literature Discussion Group Project

Submitted by Wes Farrell / United States Naval Academy on Mon, 08/05/2024 - 14:23
Description

This is a literature-based end of semester project.  After a semester of introducing literature in the form of typical literature discussions, this assignment is given to small groups.  It may be easily amended or added to.  Each group is provided with a paper and accompanying questions that are similar to the literature discussions they have done over the semester.  They then must use these guiding questions to assemble a presentation to the class.  The topics chosen and the guiding questions are designed to provide students with a taste of the many areas of inorganic chemistry that are no

Theoretical Analysis of Fe K-edge XANES on Iron Pentacarbonyl

Submitted by Prajay Patel / University of Dallas on Tue, 04/30/2024 - 15:01
Description

This article focuses on a theoretical analysis of K-edge X-ray Absorption Near Edge Structure (XANES) of Fe(CO)5 in the D3h and C4v geometries. For the context of a one semester inorganic chemistry / physical inorganic chemistry course, the authors use computational methods and experimental X-ray techniques to generate the XANES spectra of two different geometries of Fe(CO)5. Densities of states are used to show overlap between specific orbitals (Fe p with C p), indicating pi-backbonding.

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.

New Members of the Class of [Fe(CN)x(CO)y] Compounds (Koch)
Description

This LO was written by the IONiC Leadership Council to celebrate Steve Koch as the recipient of the 2024 ACS Award for Distinguished Service in Advancement of Inorganic Chemistry. Steve has been a major supporter of the IONiC community since its inception. This LO is based on the article New Members of the Class of [Fe(CN)x(CO)y] Compounds. published in Inorganic Chemistry (DOI: 10.1021/ic015604y).

Barbara Reisner / James Madison University Mon, 03/11/2024 - 17:23
Visible Light-Absorbing Ruthenium Complexes: Choosing a Final Project in Inorganic Chemistry Laboratory from Two Real-World Applications
Description

Laboratory Project Summary:

Students in an upper level Inorganic Chemistry lab course are given a choice between two final lab projects.  Both projects involve the synthesis of visible light-absorbing ruthenium complexes, however the subsequent application of these complexes correspond to different subfields within inorganic chemistry.  This feature allows them to pursue a project that continues to develop their synthetic, data-analysis, and writing skills while pursuing one that most closely aligns with their interests.

Dr. Robert Perkins / Saint Louis University Tue, 02/27/2024 - 11:13

C2v: Using rules of group theory and building a character table

Submitted by Sarah K. St. Angelo / Dickinson College on Tue, 10/24/2023 - 15:57
Description

This is an in class activity that I just used to replace a lecture! After students have the basic ideas of how to perform symmetry operations and put molecules in point groups, I like to reflect on the idea of a 'mathematical group' and what that means in terms of symmetry and group theory in inorganic chemistry.

Stable Borepinium and Borafluorenium Heterocycles: A Reversible Thermochromic “Switch” Based on Boron–Oxygen Interactions by Robert J. Gilliard Jr.

Submitted by Niharika K Botcha / Carnegie Mellon University on Fri, 06/30/2023 - 10:27
Description

This literature discussion on the Hot Paper communication in Chemistry, A European Journal; highlights the first examples of borepinium and borfluorenium cations whose optical properties can be tuned and also the very first reported example of thermochromism in these cationic species. R. J. Gilliard, Chem. Eur. J. 2019, 25, 12512. https://doi.org/10.1002/chem.201903348