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.

Werner From Beyond the Grave

Submitted by Maggie Geselbracht / Reed College on Mon, 06/09/2008 - 19:11
Description
This short communication in 2001 established the structure of a dinuclear cobalt complex based on a single crystal X-ray diffraction study of crystals taken from the Werner collection. The X-ray structure clarified the nature of the bridging ligands including a bridging superoxo group. As such, it offers a nice entry point into the nomenclature of bridging ligands, a discussion of O2 related ligands such as peroxide and superoxide, and the evolution of characterization techniques from Werner's time to the present.

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.

Werner's Nobel Prize Address

Submitted by Maggie Geselbracht / Reed College on Wed, 04/02/2008 - 02:54
Description
Alfred Werner's Nobel prize address in 1913 offers a unique historical view on the development of coordination chemistry from the expert. With a bit of "translation" to modern terminology, this paper is very accessible to most students. Discussion of the address provides a useful introduction to coordination complexes including structure, isomers, and ligand substitution reactions.

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.

Two Communications on Bioinorganic and Coordination Chemistry

Submitted by Hilary Eppley / DePauw University on Fri, 01/04/2008 - 20:39
Description
This assignment would make a good choice for a first attempt at actually having a discussion on primary literature articles since these are two short communications. They also touch on two important applications of coordination chemistry so might be appropriate early in a course, namely modeling biological systems and non-linear optical applications.

copper ammonia complexes

Submitted by Adam Johnson / Harvey Mudd College on Fri, 01/04/2008 - 20:11
Description

The reaction chemistry of aqueous copper(II) ions with ammonia is commonly used in both general chemistry and inorganic chemistry texts to illustrate the equilibria of complex ions in solution.  Although the system initially seems simple, further analysis of the chemical species involved shows that it is in fact quite complicated.  First of all, ammonia is a weak base and its basic equilibrium reaction must be taken into account.  Second, although the aquated copper(II) ion is the most prevalent ion in solution before ammonia is added, this species is itself a weak acid.  Third, a series of

student choice experiment

Submitted by Adam Johnson / Harvey Mudd College on Fri, 01/04/2008 - 19:26
Description

The students prepare a short proposal outlining their desired target and why they want to make it.  Chemicals are ordered, and during the last 3-4 weeks of the semester, the students carry out their synthesis.  The writeup is as a paper submtited to the journal Inorganic Chemistry using the template from the journal web page.

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