Variational Method for Estimating the Dipole Moment in the Second Excited State of Fluorescein Molecule from its Electronic UV Absorption Spectra
| Autor: | Ana Cezarina Morosanu, Dan Gheorghe Dimitriu, Dana Ortansa Dorohoi, Alina Costina Luca, Ioan Sorin Stratulat, Irina Macovei |
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| Rok vydání: | 2019 |
| Předmět: |
Materials Science (miscellaneous)
Process Chemistry and Technology General Engineering General Chemistry General Medicine eye diseases General Biochemistry Genetics and Molecular Biology Spectral line Moment (mathematics) Dipole chemistry.chemical_compound Variational method chemistry Petrochemistry Excited state Materials Chemistry Molecule Physics::Chemical Physics General Pharmacology Toxicology and Pharmaceutics Fluorescein Atomic physics |
| Zdroj: | Revista de Chimie. 70:3538-3544 |
| ISSN: | 2668-8212 0034-7752 |
| DOI: | 10.37358/rc.19.10.7592 |
| Popis: | Electro-optical parameters of fluorescein molecule in the second excited electronic state and information on the interactions with solvents were obtained from a solvatochromic study. Parameters of the solvents such as the refractive index, electrical permittivity and Kamlet-Taft parameters (hydrogen bond acidity and basicity) were related with the experimentally recorded shifts of UV absorption spectral band of fluorescein dissolved in several solvents. Through a variational method, the electric dipole moment and polarizability in excited state of fluorescein molecule were estimated. The calculus requires some parameters of the fluorescein molecule in the ground electronic state, which were determined through a quantum-mechanical study. |
| Databáze: | OpenAIRE |
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