This "Five slides about" is meant to introduce faculty and/or students to Spectroelectrochemistry (SEC), a technique that is used in inorganic chemistry research and other areas. SEC is a powerful tool to examine species that are normally hard to synthesize and isolate due to instability and high reactivity. Papers with examples of SEC techniques are provided on the last slide.
In this activity, students will compare and contrast two closely related structures, [Pd(dcpf)PR3]2+ (dcpf = 1,1'-bis(dicyclohexylphosphino)ferrocene; R = Me or Ph). They will be required to obtain the cif files from the supporting information of a paper. They will then make a variety of measurments in the two stuctures. These measurements can be made using a variety of different freely available programs. Instructions are provided for Mercury 3.3 and Olex2. Finally, students will be required to provide a rationale for the differences in the two structures.
This suite of activities can be used as a unit exploring the use of small molecule models and biophysical techniques to illuminate complicated biomolecules. The Parent LO: Modeling the FeB center in bacterial Nitric Oxide reductase is a short, data-filled and well-written article that is approachable with an undergraduate's level of understanding.
This Five Slides About provides an overview of the concept of magnetic susceptibility for paramagnetic metal centers. Three methods are discussed, namely the Evans NMR Method, the magnetic balance and SQUID (Superconducting QUantum Interference Device). The availability of each method varies across institutions.
In this literature discussion, students read a paper about a cobalt metallopeptide that imitates the active site of the enzyme nitrile hydratase. Specifically, the model complex is oxidized by air to produce a coordination sphere with both cysteine thiolate and sulfinic acid ligands, much like the post-translationally oxidized cysteine ligands in the biological system.
This is an in-class PDB exercise based on the paper "Mechanisms Controlling the Cellular Metal Economy" by Gilston and O'Halloran. Students are asked to visualize the metal binding sites of several proteins discussed in the paper, highlighting unusual metal geometries. After identifying the amino acid residues involved in metal binding, students will discuss the bond structure in terms of HSAB theory.
This in-class activity is to introduce the pairing of diatomic MO diagrams and photoelectron spectroscopy (PES). I will be testing this out in the fall, and will post how it goes.
This experiment involves the preparation of a key starting reactant in high purity and yield for an ongoing research project, specifically for the development of potential photodynamic therapy (PDT) agents. The students synthesize [ReO2(py)4]Cl.2H2O using standard inorganic synthesis techniques. The students visualize the vibrations and electronic properties (e.g. molecular orbitals) of the compound using output files generated from density functional theory (DFT).
This is the second part of a two-day class discussion on molecular and inorganic spectroscopy. In this activity, upper level students learn about spectroscopic tecniques used in inorganic chemistry and then devise an experiment to follow the progress of a hypothetical reaction. The activity also prepares students for the inorganic laboratory "Linkage isomerism of nitrogen dioxide" in which infrared spectroscopy is used to monitor changes to the N-O vibrational stretch upon coordination to a metal.