Solvent Effects on the Absorption and Emission Spectra of the 5ABBM molecule
crossref(2024)
Abstract
Abstract The solvent effects on the absorption and emission spectra and dipole moments of the 5ABBM molecule have been extensively studied in a series of solvents. The dipole moments in the excited state are observed to be greater than their ground-state counterparts in all the solvents studied for the chosen molecule. The dipole moment increase in the excited singlet state ranges from 2.42 to 24.14 D. The various methods for a correct prediction of solvatochromic shifts are recalled with reference to previous conflicting theoretical interpretations using Lippert’s, Bakhshiev's, and Kawski-Chamma-Viallet’s equations. Experimentally calculated ground state and excited state dipole moments were calculated using the solvatochromatic shifts of absorption and emission spectra as a function of the dielectric constant (ɛ) and refractive index (n). These data are used to estimate the excited-state dipole moment using an experimentally determined ground-state dipole moment. A series of fifteen different organic solvents (toluene, methanol, n-butyl alcohol, ethyl acetate, DMS, acetonitril, benzene, isopropyl alcohol, water, DMF, DCM, DIO, THF, ethanol, and octonol) were investigated at constant dye concentrations. Small changes in the fluorescence spectrum were observed for the different solvents; the highest fluorescence intensity was observed for DMS and the lowest for water. The stokes shift in different solvents was studied for the 5ABBM molecule. This results in the molecule being more polar in the excited state than in the ground state for the used solvents. The ground statedipole moments, HOMO-LUMO, and molecule electrostatic potential map were also computed using ab initio calculations and evaluated using Gaussian 09 W software.
MoreTranslated text
AI Read Science
Must-Reading Tree
Example
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined