CBC (Covalent Bond Classification) Method of Electron Counting

Submitted by Chip Nataro / Lafayette College on Thu, 02/02/2012 - 12:29
Description

This series of slides works through an example of electron counting using the CBC (Covalent Bond Classification) method. It compares and contrasts the classic ionic and covalent methods to the CBC method. The example used in these slides is an exception to the 18 electron rule using the the classic methods, but by CBC classification it is a very common ML4X4 tetravalent 16 electron Ti compound.

Inorganic Nomenclature and Point Group Identification: Combined In Class exercise

Submitted by Sheila Smith / University of Michigan- Dearborn on Thu, 01/26/2012 - 09:44
Description

I use this exercise in my 400-level Inorganic (Transition Metals) course.  Students have been introduced to assigning point groups in a 300- level Inorganic course on bonding theories.  Therefore, I combine a review of assigning point groups with the introduction to inorganic nomenclature in my advanced course.  This seems to break up the tedium of the rules for nomenclature while stressing that the need for such elaborate names comes from the need to correctly identify one structure among may isomeric possibilities.

Manganese carbonyl calculation addition

Submitted by Adam Johnson / Harvey Mudd College on Mon, 10/03/2011 - 01:00
Description

This is an addendum to the Manganese Carbonyl experiment (linked below).  In this part of the experiment, students carry out high level quantum mechanical calculations of reactants, intermediates, and products in order to determine which of two possible structures is correct.

Periodic trends in atomic size and electronegativity based on MO calculations

Submitted by Rob Scarrow / Haverford College on Sat, 06/25/2011 - 13:38
Description

In Haverford College's course Chem 111:Structure and Bonding, we have included a workshop exercise that guides students through their first experience using electronic structure calculations.  We use the WebMO interface along with Gaussian03, but the exercise could be adapted for other electronic structure programs. The general structure of the exercise is as follows:

Generating LGOs and constructing MO diagrams - pencast

Submitted by Adam Johnson / Harvey Mudd College on Wed, 06/15/2011 - 14:26
Description

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!

Constructing MO diagrams

Submitted by Adam Johnson / Harvey Mudd College on Wed, 06/15/2011 - 14:11
Description

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.

The [XeF]+ Cation and Ion-Pairing in [MF6]– and [M2F11]– Salts (M = As, Sb, Bi)

Submitted by Maggie Geselbracht / Reed College on Sat, 03/19/2011 - 17:53
Description

This Lewis structure and VSEPR problem is based on a paper from Inorganic Chemistry in 2010 reporting the crystal structures of a series of salts of the [XeF]+ cation.  The [MF6] and [M2F11] anions (M = As, Sb, Bi) were used as counterions, and in all cases, the [XeF]+ cation interacts with the anion via a weak bond between the Xe and a fluoride of the anion to form an ion-pair in the crystalline solid.  These somewhat unusual ions provide an interesting application of the predictive powers of Lewis stru

The Extremely Explosive Carbonyl Diazide Molecule

Submitted by Maggie Geselbracht / Reed College on Sat, 03/19/2011 - 17:03
Description

This Lewis structure and VSEPR problem is based on a paper from Inorganic Chemistry in 2010 reporting the crystal structure of the carbonyl diazide molecule.  This relatively simple molecule provides an interesting application of the predictive powers of Lewis structures and VSEPR theory to molecular structure, backed up by experimental data on bond distances and bond angles.  Before tackling carbonyl diazide, the students warm up by considering the structures of hydrogen azide and the isolated azide ion.  The reference to the original paper is

hybrid orbitals for main group and transition metal complexes

Submitted by Adam Johnson / Harvey Mudd College on Tue, 03/08/2011 - 22:58
Description
This handout shows how the s, p and d orbitals of appropriate symmetry can mix in Cnv and Dnh point groups (n = 3-4). A high-level Gaussian calculation serves to "back up" my "back-of-the-envelope" drawings of some of the hybrid orbitals.

The organometallic hypertext book

Submitted by Madeleine Schultz / Queensland University of Technology on Mon, 09/06/2010 - 06:11
Description

I am sure most people already use this but I always refer to students to the Organometallic hypertext book. It has excellent explanations of topics such as back-donation in organometallic complexes.

http://www.ilpi.com/organomet/