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Figure 1

From: First-principles density functional theoretical study on the structures, reactivity and spectroscopic properties of (NH) and (OH) Tautomer's of 4-(methylsulfanyl)-3[(1Z)-1-(2-phenylhydrazinylidene) ethyl] quinoline-2(1H)-one

Figure 1

The optimized structures of keto-enol tautomers, transition state (TS) and rotamer (Rot) of 4-(methylsulfanyl)-3[(1Z)-1-(2 phenylhydrazinylidene) ethyl] quinoline-2(1H)-one in gas phase and ethanol (in parentheses) at B3LYP/6-31G(d,p) level of theory.

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