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Electronic Structure, Biological Activity, Spectral Analysis, NBO, NLO, and Thermodynamic Properties of 3-Chloro-4-Hydroxyquinolin-2(1H)-One. DFT Approach

Chlorination of 3-acetyl-4-methylthioquinolin-2(1H)-one (1) with sulfuryl chloride may lead to 3-(2,2-dichloroacetyl)-4-methylthioquinolin-2(1H)-one (2). Whereas analytical and spectral results  for the product of this reaction evoked the proposal of obtaining 3-chloro-4-hydroxyquinolin-2(1H)-one (3...

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Autor principal: Shimaa Hussien
Formato: Artigo
Idioma:Inglês
Publicado em: Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR 2023-09-01
coleção:Iranian Journal of Chemistry & Chemical Engineering
Assuntos:
uv-vis spectra
dft/td-dft
nbo/nlo analysis
ft-ir
thermodynamic properties
vibration analyses
nmr
antimicrobial
Acesso em linha:https://ijcce.ac.ir/article_704921_d0003fe520c2791cb8ca50474bcb65a3.pdf
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