Product selection analysis for azo group formation by computational modeling
Presenter(s)
Ellery Appel, Mason Wadewitz, Katalena Hay and Wyatt Laborde
Abstract
Theoretical predictions of the relative stabilities (measured by Gibbs free energy values) and infrared (IR) spectra of structural isomers of several azo compounds were computed using molecular modeling software. Correlation between the location of the nitrogen attachment site to a phenol compound and relative isomer stability was investigated. Theoretical IR spectra were compared to experimental spectra for these compounds to assess the validity of the theoretical stability predictions.
College
College of Science & Engineering
Department
Chemistry
Campus
Winona
First Advisor/Mentor
Hannah Leverentz-Culp
Second Advisor/Mentor
Joseph K. West
Start Date
4-24-2025 2:00 PM
End Date
4-24-2025 3:00 PM
Presentation Type
Poster Session
Format of Presentation or Performance
In-Person
Session
2b=2pm-3pm
Poster Number
52
Product selection analysis for azo group formation by computational modeling
Theoretical predictions of the relative stabilities (measured by Gibbs free energy values) and infrared (IR) spectra of structural isomers of several azo compounds were computed using molecular modeling software. Correlation between the location of the nitrogen attachment site to a phenol compound and relative isomer stability was investigated. Theoretical IR spectra were compared to experimental spectra for these compounds to assess the validity of the theoretical stability predictions.
Comments
No poster file