Computational Organometallic Chemistry
Introduction to High Resolution Spectroscopy
http://assign3.chem.usyd.edu.au/spectroscopy/index.php
A series of Java tools for learning about the relationship between molecular parameters (size, mass etc) and the form of the spectral trace. These cover rotational, vibrational, ro-vibrational and electronic spectroscopy.
Basics of Computational Chemistry
I would use this VERY brief introduction to computational chemistry in my inorganic course to preface a computational based assignment. While one learning goal for such an assignment might be familiarity with WebMO/Gaussian, understanding the background and theory of computational chemistry would generally be beyond the scope of the inorganic course. However, I certainly want students to have some idea of what they are doing when they perform a calculation (optimization and frequency analysis of metal carbonyls, for example). I've also included here handouts I use to explain how to use W
Lanthanum gallium bismuthide
The Lanthanide Contraction
This recent article discusses a series of isostructural complexes across the lanthanides using a multidentate ligand. In these structures, the lanthanides are all eight-coordinate, bonded to all oxygen donors. Copious structural data is presented that provides excellent experimental verification of the lanthanide contraction.
Generating LGOs (SALCs)
After several days of lecturing on the topic of polyatomic molecular orbital diagrams, students break into small groups of 3-4 and form LGO’s that can be used to interact with a central atom to form a Molecular Orbital (MO) diagram. This assignment is part of a larger 4-5 week unit on MO theory.
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