Advisor(s)
Dr. Tevye Celius, PhD
Ohio Northern University
Chemistry & Biochemistry, Science, Technology, and Mathematics
t-celius@onu.edu
Trilisa Perrine, PhD
Ohio Northern University
Chemistry & Biochemistry, Science, Technology, and Mathematics
t-perrine@onu.edu
Document Type
Poster
Location
ONU McIntosh Center; Activities Room
Start Date
22-4-2022 10:00 AM
End Date
22-4-2022 11:00 AM
Abstract
In this paper, we investigate the solvatochromatic behaviors of fluorenone and benzofluorenone derivatives in both protic and aprotic solvents. While the effects of aprotic solvents on these dyes have been extensively studied in silico, little has been done to model the impact of protic solvents. One of the challenges present is that protic solvents exhibit both polarity and hydrogen bonding, which is problematic since hydrogen bonding cannot be modeled using a continuum model. In the current work, we present both theoretical and experimental data collected for benzo[a]fluorenone, benzo[b]fluorenone, benzo[c]fluorenone, and 9-fluorenone. Furthermore, we demonstrate the differences between theoretical calculations using an implicit solvent model and an explicit model.
Recommended Citation
Colley, Kiser Z. and Dunn, Timothy, "Towards Understanding the Solvatochromatic Behavior of Fluorenone and Benzofluorenone Derivatives in Protic Solvents" (2022). ONU Student Research Colloquium. 22.
https://digitalcommons.onu.edu/student_research_colloquium/2022/posters/22
Restricted
Available to ONU community via local IP address and ONU login.
Towards Understanding the Solvatochromatic Behavior of Fluorenone and Benzofluorenone Derivatives in Protic Solvents
ONU McIntosh Center; Activities Room
In this paper, we investigate the solvatochromatic behaviors of fluorenone and benzofluorenone derivatives in both protic and aprotic solvents. While the effects of aprotic solvents on these dyes have been extensively studied in silico, little has been done to model the impact of protic solvents. One of the challenges present is that protic solvents exhibit both polarity and hydrogen bonding, which is problematic since hydrogen bonding cannot be modeled using a continuum model. In the current work, we present both theoretical and experimental data collected for benzo[a]fluorenone, benzo[b]fluorenone, benzo[c]fluorenone, and 9-fluorenone. Furthermore, we demonstrate the differences between theoretical calculations using an implicit solvent model and an explicit model.