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Electronic structure and tautomerism of thioamides


Novak, Igor; Klasinc, Leo; McGlynn, Sean P.
Electronic structure and tautomerism of thioamides // Journal of electron spectroscopy and related phenomena, 209 (2016), 62-65 doi:10.1016/j.elspec.2016.03.005 (međunarodna recenzija, članak, znanstveni)


Naslov
Electronic structure and tautomerism of thioamides

Autori
Novak, Igor ; Klasinc, Leo ; McGlynn, Sean P.

Izvornik
Journal of electron spectroscopy and related phenomena (0368-2048) 209 (2016); 62-65

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

Ključne riječi
Photoelectron spectroscopy ; Thioamides ; Cooperative catalysis

Sažetak
The electronic structures of several thioamides have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto-enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of thioamide derivatives are discussed. The predominant tautomers in the gas phase are of keto-(thio)keto form. The addition of cyclohexanone moiety to the thioamide group enhances the Lewis base character of the sulfur atom. The addition of phenyl group to the (thio)amide group significantly affects its electronic structure

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982915-2945 - Spektroskopija, kemijska svojstva i reakcije biološki aktivnih molekula (Branka Kovač, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Autor s matičnim brojem:
Leo Klasinc, (21130)

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


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