Honors College Senior Thesis Presentations
Kinetics and Liquid Assisted Grinding Effects in Palladacycle Mechanosynthesis
Academic Level at Time of Presentation
Senior
Major
Chemistry
Minor
Biology
List all Project Mentors & Advisor(s)
Dr. Rachel Allenbaugh
Presentation Format
Oral Presentation
Abstract/Description
Palladium catalysts play a vital role in modern synthetic chemistry, with palladacycles being a class of catalysts that have shown utility. Mechanochemical synthesis provides a powerful method to synthesize these compounds. In the past few years, we have shown that liquid-assisted grinding (LAG), a form of mechanochemistry where small amounts of solvent are added to partially dissolve reagents, has improved reaction efficiency substantially compared to that of neat grinding. In this presentation, the formation of palladacycles via non-innocent LAG, where solvents actively participate in the reaction, will be discussed, along with an emphasis on the synthesis of the palladacycle Najera Catalyst II by employing high-energy ball milling. A discussion on a donor-acceptor number approach to systematic non-innocent solvent selection will also be discussed, with considerations of viscosity influences as well. Additionally, a discussion on reaction conversion and how it relates to kinetic modeling will be shown. Finally, kinetic modeling of the synthesis of Najera Catalyst II using the Johnson-Mehl-Avrami-Yerofeev-Kolmogrov, Finke-Watzky, and First-Order models will be shown to demonstrate mechanistic insights into the rates of nucleation and autocatalytic growth. These findings aim to enhance our understanding of non-innocent LAG and its effects on reaction kinetics of mechanochemical synthesis on palladacycles.
Spring Scholars Week 2025
Honors College Senior Thesis Presentations
Kinetics and Liquid Assisted Grinding Effects in Palladacycle Mechanosynthesis
Palladium catalysts play a vital role in modern synthetic chemistry, with palladacycles being a class of catalysts that have shown utility. Mechanochemical synthesis provides a powerful method to synthesize these compounds. In the past few years, we have shown that liquid-assisted grinding (LAG), a form of mechanochemistry where small amounts of solvent are added to partially dissolve reagents, has improved reaction efficiency substantially compared to that of neat grinding. In this presentation, the formation of palladacycles via non-innocent LAG, where solvents actively participate in the reaction, will be discussed, along with an emphasis on the synthesis of the palladacycle Najera Catalyst II by employing high-energy ball milling. A discussion on a donor-acceptor number approach to systematic non-innocent solvent selection will also be discussed, with considerations of viscosity influences as well. Additionally, a discussion on reaction conversion and how it relates to kinetic modeling will be shown. Finally, kinetic modeling of the synthesis of Najera Catalyst II using the Johnson-Mehl-Avrami-Yerofeev-Kolmogrov, Finke-Watzky, and First-Order models will be shown to demonstrate mechanistic insights into the rates of nucleation and autocatalytic growth. These findings aim to enhance our understanding of non-innocent LAG and its effects on reaction kinetics of mechanochemical synthesis on palladacycles.
