Allison Jessup Email and Phone Number

Contracted through ATL to do analytical work for Procter and Gamble. Followed analytical methods that produced liquid and/or air samples that were run using GC/MS. Preliminary analysis of this data was then done using Microsoft Excel and MassHunter software. Perfume standards were produced by following strict procedures in order to calibrate GC/MS systems.

The trans-effect for platinum (II) molecules has a set order for when an addition of a ligand would add trans- or if it would add cis. Using Spartan (Student Addition) ten molecules were built to investigate the cause of the trans-effect. These molecules were of the form [PdCl3L] where the ligand (L) was changed. Palladium was used in place of platinum to accommodate Spartan's (Student Addition) inability to run accurately with larger atoms. The calculations for energy were run at a Density Functional B3YLD 6-31G* level. This data was then imported into R Studio. The variables that are the focus are the IR stretching frequencies and the partial chargers on the atoms. Different thermodynamic and kinetic variables were tested but no trend between just two variables was found. By then exporting the data into R Studio, a trend was found involving the IR stretching frequency of the cis-ligand, the partial charge on the metal center, and the partial charge on the trans- and cis-ligand. These variables could predict the IR stretching frequency of the trans-ligand, which followed the known trans-effect order.

This project used 51-V spectroscopy to identify the inverse relationship between the pKa of alcohols and the formation constant of its respective ester. It was found that the pH does not affect the formation constant of the vanadate esters. Once the formation constant was found from the wet lab a computational approach was taken to calculate the formation constant for the vanadate esters. Spartan (Student Edition) was used to build the vanadate esters and calculate the formation constant by using concentrations. These calculations were run at a Merck Molecular Force Field (MMFF) level, which is the lowest level Spartan can run. The calculated formation constants were within the same tens as the value from the wet laboratory experiment.

Led teams of people to ensure the pets in our care received the best care possible. Managed a time-oriented schedule. Dealt with customers of all types and resolved conflicts. Trained and directed all types of new employees in multiple areas.