Abstract: Using Van Der Waals RadII to Predict the Electrostriction in Lithium/Water Molecules
Mentor: Dr. Ernest McGoran, Chemistry and Dr. Jeff Rahn, Chemistry
To make reactions more efficient and more spontaneous, the use of catalysts is necessary. Because of platinum's binding properties, its main use is as a catalyst1. In its divalent state, platinum tends to prefer ligands containing nitrogen1. This makes 2,2'-bipyridine-44'-dicarboxylic acid (4,4' LL) a very good candidate for a ligand. Also, because of the d orbital splitting, most Pt2+ tend to be planar1. (4,4' LL) PtCl₂ is most likely to be the product formed; however, a six coordinate complex is possible.
Abstract: Using Van Der Waals Radii to Predict the Electrostriction in Litium/Water Molecules
Mentor: Dr. Ernest McGoran and Dr. Jeff Rahn, Chemistry
Lithium/water complexes containing four to sixteen water molecules in the first and second salvation shells have been partially minimized using ab initio and density functional methods to measure the amount of electrostriction. The hydrogen bond, H-bond, distances between the first and second salvation shell water molecules vary linearly with the electrostatic charges on the hydrogen donor atoms. Thus, the major factor leading to electrostriction can be ascribed to the reduction in the van der Walls radii of the hydrogen atoms directly involved in H-bonding. These "shorter' van der Walls radii and those for oxygen and the lithium ion were used to calculate the volumes of the complexes.
phone: 509.359.6200 (campus operator)
View the original version of this page.