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.

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.

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

Submitted by Barbara Reisner / James Madison University on Mon, 03/11/2024 - 17:23
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).

Collaborative Point Group "Escape Room" Competition

Submitted by Joya Cooley / California State University, Fullerton on Tue, 08/08/2023 - 19:29
Description

This is a digital "escape room" where students determine point groups of molecules and answer follow-up questions to determine four digits. The four digits can be used to unlock a physical lockbox which is brought to class with small prizes inside.

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

2023 Content Building Workshop - Morgan State University

Submitted by Chip Nataro / Lafayette College on Tue, 06/27/2023 - 10:56

This is a list of all of the learning objects developed in association with the 2023 content building workshop. Prof. Robert Gilliard was the featured speaker for this workshop, so most of the LOs will focus on his work.

Examination and Classification of Molecular Symmetry

Submitted by Ben Lovaasen / Wheaton College (IL) on Thu, 06/22/2023 - 11:19
Description

This is a hands-on introduction to molecular symmetry and point groups. Students are not expected to have any exposure to molecular symmetry before this lab. Students work in pairs to identify symmetry elements in molecules and assign molecules to appropriate point groups.