Literature discussion for “Synthesis and characterization of a formal 21-electron cobaltocene derivative.”

Submitted by Wes Farrell / United States Naval Academy on Wed, 05/15/2024 - 14:34
Description

This is a literature discussion regarding electron counting.  It involves several opportunities for students to use CBC to determine electron counts themselves.  Then, it demonstrates the first case of a 21-electron complex, which leads to great discussion regarding the 18-electron rule.  Throughout the discussion, students are introduced to many structural and spectrochemical analyses, some of which may be new to them.

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.

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.

Inorganic Chemistry

Submitted by Daniel Ashley / Spelman College on Thu, 06/22/2023 - 16:48
Description

Rigorous treatment of the chemistry of inorganic compounds, including structure, properties, and reactions, and their interpretation in terms of quantum chemistry, and solid state chemistry; analysis with modern instrumentation.

Balloon Built Molecular Orbitals
Description

In this activity, students will collectively build molecular orbitals for homonuclear diatomic molecules using balloons as models for atomic orbitals. This activity gets students up and moving and involved in the building of an MO diagram and allows for 3-D visualization of the core concepts of building molecular orbitals from atomic orbitals.

Darren Achey / Kutztown University Wed, 06/21/2023 - 11:58