Computational Study of tetrachlorbis(dimethylsulfoxide) tin(IV) Linkage Isomers

Submitted by N. Fackler / Nebraska Wesleyan University on Wed, 07/16/2008 - 17:23
Description

This experiment is a computational supplement to Part B of the tin chemistry described in "Synthesis and Technique in Inorganic Chemistry" (Exp 7; see below for the complete citation).*  Students will optimize and compute IR spectra for the cis and trans and corresponding linkage isomers of tetrachlorbis(dimethylsulfoxide) tin(IV).  A comparison of experimental (IR spectra) and computational data (enthalpies of formation; IR spectra) will aid them in determining the most likely product of this simple synthesis and in identifying the S-O vibrations in their experimental spectrum.

Computational Modeling of a Molybdenum Piano Stool Complex

Submitted by N. Fackler / Nebraska Wesleyan University on Wed, 07/16/2008 - 15:28
Description

This is a computational/molecular modeling supplement to the synthesis of  [1,3,5-C6H3(CH3)3]MoCO3 included in the third edition of  "Synthesis and Technique in Inorganic Chemistry" (see full citation below)*. Students optimize the model and compute an infrared spectrum and compare it to their experimental (solution) spectrum.

*G. S. Giorlami, T. B. Rauchfuss, R. J. Angelici  “Synthesis and Technique in Inorganic Chemistry: A Laboratory Manual”, Third Edition

Identifying residual solvents

Submitted by Joe Fritsch / Pepperdine University on Thu, 06/26/2008 - 14:50
Description
Identifying residual solvents is important in helping students to interpret their NMR spectra and in the preparation of elemental analysis samples.  I have found the NMR work of Gottlieb and Nudelman to be valuable in my research and the teaching lab. The tabular data for many residual solvents in common NMR solvents for both proton and carbon spectra has been extremely valuable. Interpreting an NMR spectrum containing a residual solvent becomes  easier when the chemical shifts and multiplicity for the solvent are known.

Fivefold Bonding in Cr(I) Dimer

Submitted by Maggie Geselbracht / Reed College on Thu, 04/17/2008 - 19:47
Description

This paper describes the synthesis and characterization of a Cr(I) dimer with a very short Cr-Cr distance.  Computational studies support fivefold bonding between the chromium atoms.  I have used this paper to introduce metal-metal multiple bonds and discuss the molecular orbital interactions of homonuclear diatomics including d-orbitals.  More generally, it is a nice example to stimulate the discussion of what constitutes a bond and the various interpretations of bond order.

Nitrogenase primary literature

Submitted by Adam Johnson / Harvey Mudd College on Fri, 04/04/2008 - 17:58
Description
Some in-class materials for discussion of the nitrogenase enzyme, including some background reading on the bacterial process, the industrial process, X-ray structure data of the P-cluster and the Mo-Fe cluster, and Schrock's reaction cycle that models the biological process.  Also included are the literature sources I use in my in-class discussion of nitrogenase;  2 X-ray crystal structures by Rees, and the synthetic work by Schrock.

Lanthanum gallium bismuthide

Submitted by Maggie Geselbracht / Reed College on Wed, 04/02/2008 - 01:55
Description
This paper describes the synthesis and characterization of a new structurally interesting polybismuthide. The bonding is understood through band structure calculations and a retrotheoretical approach, analyzing the interactions of smaller substructures. Discussion is focused on the Ga-Ga bonding interactions and the weaker Ga-Bi and Bi-Bi interactions within the one-dimensional bismuth ribbons.

Fluoro Analogue of Wilkinson's Catalyst

Submitted by Maggie Geselbracht / Reed College on Wed, 04/02/2008 - 01:24
Description
This paper describes the synthesis and characterization of the fluoro analogue of Wilkinson's catalyst [(Ph3P)3RhF]. The fluorine for chlorine switch causes an interesting change in the reactivity, promoting activation of C-Cl bonds in chloroarenes. Discussion of this paper nicely pairs with the chemistry of Wilkinson's catalyst, highlighting periodic trends in bonding and reactivity.

Miessler and Tarr: Inorganic Chemistry, 3rd. Ed

Submitted by Nancy Williams / Scripps College, Pitzer College, Claremont McKenna College on Fri, 03/28/2008 - 16:44
Description

Miessler and Tarr is an inorganic textbook which is is best suited to an upper-division one-semester inorganic course, though there is more material than can be covered in a single semester, so some choice of topics is necessary.  It is very well suited for a course oriented around structure, bonding, and reaction chemistry of transition metal compounds, but is very limited in its treatment of solids, main-group, descriptive chemistry, and bioinorganic.  Pchem would be helpful but is not necessary.  In particular, the treatment of MO theory is very in-depth.  The quality of end-of chapter p

Zinc-Zinc Bonds

Submitted by Maggie Geselbracht / Reed College on Fri, 03/28/2008 - 02:51
Description
This paper in Science reports the synthesis of decamethyldizincocene, a stable compound of Zn(I) with a zinc-zinc bond. The title compound and the starting material, bis(pentamethylcyclopentadienyl)zinc, offer a nice link to metallocene chemistry, electron counting, and different modes of binding of cyclopentadienyl rings as well as more advanced discussions of MO diagrams. More fundamental discussion could focus on the question of what constitutes the evidence for a chemical bond, in this case, the existence of a zinc-zinc bond.

Housecroft and Sharpe: Inorganic Chemistry, 3ed

Submitted by Lori Watson / Earlham College on Wed, 03/26/2008 - 20:01
Description

Housecroft and Sharpe (Inorganic Chemistry, 3ed): This is a comprehensive inorganic textbook designed primarily for students at the Junior/Senior level. P-Chem would not be needed as a prerequisite for this text, but would be helpful. It includes both theoretical and descriptive material along with special topics, enough for a two semester course though it is easily adaptable to a one-semester "advanced inorganic" course by choosing only some topics. It is written in a clear and generally readable style and the full-color graphic contribute to student understanding.

Subscribe to Upper Division/Graduate