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

The tautomerizations mechanism of 4-(methylsulfanyl)-3[(1Z)-1-(2-phenylhydrazinylidene) ethyl] quinoline-2(1H)-one were inspected in the gas phase and ethanol using density function theory (DFT) M06-2X and B3LYP methods. Thermo-kinetic features of different conversion processes were estimated in tem...

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Detalles Bibliográficos
Autores principales: Halim, Shimaa Abdel, Abdel-Rahman, Mohamed A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10235042/
https://www.ncbi.nlm.nih.gov/pubmed/37264069
http://dx.doi.org/10.1038/s41598-023-35933-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10235042/
https://www.ncbi.nlm.nih.gov/pubmed/37264069
http://dx.doi.org/10.1038/s41598-023-35933-8

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