Solvent scales used to study the intermolecular interactions in binary solutions of two p-aryl-pyridazinium methylids

Babusca, Daniela; Dorohoi, Dana Ortansa

doi:10.1016/j.saa.2015.07.006

Cited by 7 publications

(1 citation statement)

References 30 publications

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“…Density Functional method of Spartan'14 program [39,40] was used to compute some theoretical properties of fluorescein. Spartan is a molecular modeling program using permittivity [41,42], respectively, are listed in Table 1, which also contains the Kamlet-Taft solvent parameters hydrogen bond donor (α ) and hydrogen bond acceptor (β) [43][44][45][46]. Ultraviolet electronic absorption spectra of fluorescein were recorded in 14 solvents at room temperature, with QE65000 UV-Vis Ocean-Optics spectrometer.…”

Section: Experimental Partmentioning

confidence: 99%

Variational Method for Estimating the Dipole Moment in the Second Excited State of Fluorescein Molecule from its Electronic UV Absorption Spectra

Luca¹,

Morosanu²,

Macovei³

et al. 2019

Rev. Chim.

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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.

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Section: Experimental Partmentioning

confidence: 99%