Date of Award
2015
Document Type
Thesis
Degree Name
Bachelors
Department
Natural Sciences
First Advisor
Shipman, Steven
Keywords
Dimethylaminobenzonitrile, Dual Fluorescence, Physics, Aminobenzonitrile
Area of Concentration
Chemistry
Abstract
The dual florescence of dimethylaminobenzonitrile (DMABN) has been investigated since the 1960s. Despite more than 50 years of previous research, the spatial configuration of the excited state causing the dual fluorescence is still controversial. We have performed excited state calculations of DMABN in a variety of solvents of varying hydrogen-bonding affnity and polarity using implicit solvation (COSMO-PCM) at the M06-HF level of theory and we have also collected steady-state absorption and fluorescence spectra of DMABN in these solvents. Experimental spectra are broadly consistent with previous work. Computational methods for ABN gave reasonable results for both absorption and emission energies. Absorption and LE emission energies for DMABN were also reasonable, but ICT emission energies were highly inaccurate. This is inconsistent with the TICT model of DMABN's dual luminescence.
Recommended Citation
Edsell, Anastasia Veronica, "SOLVENT EFFECTS ON ABSORPTION AND FLUORESCENCE SPECTRA OF 4-DIMETHYLAMINOBENZONITRILE AND 4-AMINOBENZONITRILE: A THEORETICAL AND EXPERIMENTAL STUDY" (2015). Theses & ETDs. 5017.
https://digitalcommons.ncf.edu/theses_etds/5017