Orca Computational Chemistry Tutorials (Neese)

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

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.

SLiThEr #58: Embracing the maker culture in chemistry research and instruction

Submitted by Chip Nataro / Lafayette College on Fri, 03/01/2024 - 09:43

BoB LeSuer (Associate Professor at SUNY - Brockport and President of IBiB) discusses using a maker space for teaching chemistry. Topics include: digital fabrication of pedagogical materials (models and periodic tables); instrumentation (potentiostat and liquid dispenser); and upcycling plastics into functional materials. Of special interest to this group will be work BoB has done on making the ICE solid state model kits available to anyone!

Electron Transfer through a Photosynthetic Reaction Center

Submitted by Levi Ekanger / The College of New Jersey on Thu, 09/07/2023 - 16:23

This is a computer-based activity intended for a bioinorganic chemistry course composed of upper-level undergraduate students. It is helpful for students to be familiar with concepts of electron transfer, including a surface-level introduction to Marcus theory and the inverted region, and photosynthetic charge separation before beginning this activity. However, this activity can easily be adapted to students with other levels of preparation in a bioinorganic course.

Collaborative Point Group "Escape Room" Competition

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

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

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

Balloon Built Molecular Orbitals

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

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.

Materials Chemistry

Submitted by Deborah Polvani / Washington & Jefferson College on Mon, 06/12/2023 - 09:33

Materials Chemistry will explore many of the fundamental relationships between a material’s chemical structure and the subsequent interesting and useful properties that result.  In order for advances in electronic, magnetic, optical, and other niche applications to be made, an understanding of the structure-property relationship in these materials is crucial.  This course will emphasize inorganic systems, and topics will include descriptions of various modern inorganic solid-s

Advanced Inorganic Chemistry

This course will explore many of the fundamental principles of inorganic chemistry, with significant emphasis on group theory, molecular orbital theory, angular overlap theory, coordination chemistry, organometallic chemistry, and bio-inorganic chemistry. Specific topics will vary, but will generally include coverage of atomic structure, simple bonding theory, donor-acceptor chemistry, the crystalline solid state, coordination compounds and isomerism, electronic and infrared spectroscopy applied to inorganic complexes, substitution mechanisms, and catalysis.

Deborah Polvani / Washington & Jefferson College Mon, 06/12/2023 - 09:18