Metal carbonyls are the most widely studied organometallic complexes.  This exercise uses Gaussian with the GaussView interface to investigate the role of the metal centers on backbonding to the CO ligand. Density Functional Theory (DFT) methods were used to evaluate two classic metal pentacarbonyls, namely Fe(CO)₅ and Ru(CO)₅.

Determining the reactive intermediates in metalloenzymes is a very involved task, and requires drawing from many different spectroscopies and physical methods.  The facile activation and oxidation of methane to produce methanol is one of the "holy grails" of inorganic chemistry.  Strategies exist within materials science and organometallic chemistry to activate methane, but using the enzyme methane monooxygenase, nature is able to carry out this difficult reaction at ambient temperatures and pressures (and in water, too!).

My technique for constructing MO diagrams is based on (and significantly simplified from) that of Verkade.  While I find it works well in my classroom for my students, they benefit from careful step-by-step instruction of the method through several weeks of in-class exercises.  This LO has links to pencasts where I go through three easy examples that demonstrate the technique, as well has how I handle lone pairs by this method.  As transition metal complexes don’t have stereochemically active lone pairs, they are often easier to deal with than even something seemingly as simple as water!

I use this in-class exercise after I have taught the students how to construct LGOs using the generator orbital technique.  The previous week, they do an in-class exercise on that topic, and this week, they use the LGOs from the previous week to construct MO diagrams.