Pretražite po imenu i prezimenu autora, mentora, urednika, prevoditelja

Napredna pretraga

Pregled bibliografske jedinice broj: 980182

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


Divac, Vera M.; Šakić, Davor; Weitner, Tin; Gabričević, Mario
Solvent effects on the absorption and fluorescence spectra of Zaleplon: Determination of ground and excited state dipole moments // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 212 (2019), 1; 356-362 doi:10.1016/j.saa.2019.01.023 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 980182 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

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


Ustanove
Farmaceutsko-biokemijski fakultet, Zagreb

Profili:

Avatar Url Mario Gabričević (autor)

Avatar Url Tin Weitner (autor)

Avatar Url Davor Šakić (autor)

Citiraj ovu publikaciju

Divac, Vera M.; Šakić, Davor; Weitner, Tin; Gabričević, Mario
Solvent effects on the absorption and fluorescence spectra of Zaleplon: Determination of ground and excited state dipole moments // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 212 (2019), 1; 356-362 doi:10.1016/j.saa.2019.01.023 (međunarodna recenzija, članak, znanstveni)
Divac, V., Šakić, D., Weitner, T. & Gabričević, M. (2019) Solvent effects on the absorption and fluorescence spectra of Zaleplon: Determination of ground and excited state dipole moments. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 212 (1), 356-362 doi:10.1016/j.saa.2019.01.023.
@article{article, year = {2019}, pages = {356-362}, DOI = {10.1016/j.saa.2019.01.023}, keywords = {Zaleplon, Solvatochromic methods, Dipole moment, Stokes shift, MLR analysis}, journal = {Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy}, doi = {10.1016/j.saa.2019.01.023}, volume = {212}, number = {1}, issn = {1386-1425}, title = {Solvent effects on the absorption and fluorescence spectra of Zaleplon: Determination of ground and excited state dipole moments}, keyword = {Zaleplon, Solvatochromic methods, Dipole moment, Stokes shift, MLR analysis} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


Citati