Off-campus University of Richmond users: To download campus access theses, please use the following link to log in to our proxy server with your university username and password.
Date of Award
2024
Document Type
Restricted Thesis: Campus only access
Degree Name
Bachelor of Science
Department
Chemistry
First Advisor
Dr. Carol A. Parish
Abstract
Electronic structures of furan, pyrrole, thiophene diradical isomers were studied using geometry optimization, spin flip methods and NICS. Geometries, singlet triplet gap energies , and aromaticity results were obtained . In addition, we did a mechanistic study for CO2 reaction with various amines to explore their reaction pathways.
Recommended Citation
Chen, Zhijian, "Using Computational Chemistry to Study Dideyhydroradical Isomers of Furan, Pyrrole, Thiophene and the Mechanism of CO2 Reaction with Various Amine Species" (2024). Honors Theses. 1772.
https://scholarship.richmond.edu/honors-theses/1772