Naslov
Solvent effects on the absorption and fluorescence spectra of Zaleplon: Determination of ground and excited state dipole moments

Autori
Divac, Vera M. ; Šakić, Davor ; Weitner, Tin ; Gabričević, Mario

Izvornik
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (1386-1425) 212 (2019), 1; 356-362

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Zaleplon ; Solvatochromic methods ; Dipole moment ; Stokes shift ; MLR analysis

Sažetak
Solvent effects on the absorption and fluorescence spectra of Zaleplon, anonbenzodiazepine sedative/hypnotic drug that is mainly used for the short term treatmentof insomnia, were investigated in 18 different solvents with diverse polarities.Dipole momentsof the ground and excited state(μgand μe) were determined byLippert–Mataga, Bakhshiev, Reichardt, McRae and Suppan solvatochromic methods. The dipole momentof Zaleplonground state in the gas phase has been calculated asμg= 10.95 D(TD-DFT) with B3LYP/cc- pVTZ functional. There is a good agreement of theoretical data with Reichardt, McRae, and Suppan correlations, while some dissidence with Lippert–Mataga and Bakhshiev equations is suggesting the occurrence of specific solute–solvent interactions. Additionally, multiple linear regression analyses with Kamlet–Taft and and Catalan solvatochromic modelswas applied to solute–solvent interactions.Dominant property of the solvent that affects the absorption band and Stokes shifts of Zaleplon is polarity of the solvent while the emission band is influenced mainly by solvent basicity.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Farmacija

POVEZANOST RADA