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)

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).

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.

Air-Stable Thermoluminescent Carbodicarbene-Borafluorenium Ions (Gilliard)
Description

Denise Femia / La Salle University Fri, 06/30/2023 - 12:48

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.

Organometallic Precursor in [FeFe] Hydrogenase H-Cluster Bioassembly (Britt)

Submitted by Amanda Reig / Ursinus College on Wed, 03/22/2023 - 15:11
Description

In Fall 2022, R. David Britt was awarded the ACS Alfred Bader Award in Bioinorganic Chemistry for pioneering pulse electron paramagnetic resonance (EPR) spectroscopy of the photosystem II oxygen-evolving complex, plus the advanced EPR spectroscopic characterization of numerous and varied key metalloenzymes and catalysts. 

Can donor ligands make Pd(OAc)2 a stronger oxidant? (Stahl)

Submitted by Sarah Shaner / Southeast Missouri State University on Mon, 03/20/2023 - 15:29
Description

This Literature Discussion LO was created for the 2023 ACS Inorganic Chemistry Award Winners collection. Professor Shannon Stahl was the recipient of the 2023 Organometallic Chemistry Award. This LO is based on a recent paper from the Stahl group entitled "Can Donor Ligands Make Pd(OAc)2 a Stronger Oxidant? Access to Elusive Palladium(II) Reduction Potentials and Effects of Ancillary Ligands via Palladium(II)/Hydroquinone Reox Equilibria" published in J. Am. Chem. Soc. 2020, 142, 19678-19688.