‘The reward of the young scientist is the emotional thrill of
being the first person in the history of the world to see something or
to understand something’  – Cecilia Payne-Gaposchkin

These projects were completed as Senior Honors research projects at WSC and presented at Nebraska Academy of Sciences (NAS), Regional ACS meetings, or to the public at WSC.

Chromium Tricarbonyl Complexes.  
    Abstract:  In order to study the stabilizing effects of silicon on arene-chromium bonds, three systematically silylated benzene-chromium tricarbonyl complexes were synthesized (mono-, di-, and tri-silylated benzene chromium tricarbonyl).  After synthesizing the needed compounds, each was analyzed using ultraviolet-visible spectroscopy, infrared spectroscopy, and other techniques to compare relative bonding effects.

    Abstract: This study was to determine a method for the resolution of the enantiomers of ortho-toluidine chromium tricarbonyl. The methods were developed with p-toluidine first and then applied to o-toluidine Cr(CO)3. The enantiomers were resolved by use of a chiral resolving agent to form two diastereomers that could be separated by column chromatography. The compounds collected from the column were then analyzed with thin layer chromatography, 1H NMR spectroscopy, and infrared spectroscopy.


Fullerenes.  
    Abstract: The amount of stain that can be applied to the different fullerenes before their destruction was calculated and compared.  The strain energies were used to compare force constants (using Hooke’s Law) for C60 and the various endohedral C60 compounds.  All calculations were performed using the AM1 and PM3 semiempirical methods for geometry optimizations followed by single point ab initio HF and  DFT energy calculations.
 

    Abstract:   The compression and expansion of C60 and endohedral C60 was modeled to determine fullerenes which may have unique or desirable properties.  The compression and expansion of the fullerenes was simulated by locking the distances across the cage framework and then gradually decreasing or increasing these values and re-optimizing the structures.  The amount of strain that can be applied to the different fullerenes before their destruction was calculated and compared.  The strain energies were also used to compare a first approximation of force constants (using Hooke’s Law) for the fullerenes.  All optimizations were performed using the AM1 semiempirical method followed by single point DFT and HF energy calculations. 

Green Chemsitry:  Solvent Free Synthesis
      Abstract:   Green chemistry is a set of principles used to reduce or eliminate the use or generation of hazardous substances in the design, manufacture and application of chemical products.  Arene chromium tricarbonyl complexes are prepared by mixing the arene and chromiumhexacarbonyl (Cr(CO)6) and refluxed in a high boiling solvent, or by mixing the arene and (NH3)3Cr(CO)3 with BF3/ether to initiate the reaction.  The solvents represent a large excess of material in relationship to the amount of target compound prepared and therefore much of the cost and waste generated is due to the solvent and not to the material that is actually wanted.  Solvent-free techniques were developed for the formation of these complexes and the formation was verified by infrared spectroscopy.


Torus Calculations:  Coming soon
Organometallics Calculations:  Coming soon