Eight Coordinate Zirconium?

Submitted by James F. Dunne / Central College on Fri, 02/21/2025 - 11:43
Description

This discussion is intended as a brief application of symmetry and ligand coordination to a novel Zr compound. Students apply VSEPR and molecular symmetry to an uncommon organometallic compound, and apply the coordination mode to basic reactivity. It is intended for an in-class activity but could easily be assigned as a short homework assignment.

Exploring the Electronegativity and Hardness of the Noble Gases

Submitted by James F. Dunne / Central College on Fri, 02/21/2025 - 11:15
Description

This is a literature discussion focused on calculating and comparing the Mulliken electronegativites of the noble gases. Students can explore how this periodic property extends into the noble gases and impacts the observed reactivity of Group 18 compounds.  The discussion could be used either as an in-class activity or a homework assignment.

Coordination Bonding with Main Group Metals(?)

Submitted by A. M. Christianson / Bellarmine University on Wed, 12/11/2024 - 10:19
Description

This Literature Discussion considers the synthesis of the first carbene-bismuthinidene complex by Gilliard and coworkers in 2019. This molecule serves as an illustration of different bonding models, as it can be described by multiple resonance structures invoking fully covalent, zwitterionic, and coordinate/dative bonding forms. Students analyze these resonance structures and their geometrical implications, then compare to the experimental structural evidence to come to a conclusion about which bonding model(s) best describe this molecule!

Literature Discussion Group Project
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

Wes Farrell / United States Naval Academy Mon, 08/05/2024 - 14:23
Theoretical Analysis of Fe K-edge XANES on Iron Pentacarbonyl
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.

Prajay Patel / University of Dallas Tue, 04/30/2024 - 15:01
Orca Computational Chemistry Tutorials (Neese)
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.

Amanda Reig / Ursinus College Thu, 04/04/2024 - 13:53

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)
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.

Joanne Stewart / Hope College Thu, 03/14/2024 - 20:09
1FLO: Introduction to Borylene Ligands (Braunschweig)
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.

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