Electronic structure and tautomerism of thioamides (CROSBI ID 251923)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Novak, Igor ; Klasinc, Leo ; McGlynn, Sean P.
engleski
Electronic structure and tautomerism of thioamides
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
Photoelectron spectroscopy ; Thioamides ; Cooperative catalysis
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Podaci o izdanju
209
2016.
62-65
objavljeno
0368-2048
1873-2526
10.1016/j.elspec.2016.03.005