Structural (monomer and dimer), wavefunctional, NCI analysis in aqueous phase, electronic and excited state properties in different solvent atmosphere of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl} benzene-1,2-diol
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.116335
Abstract: Abstract In this present work, structural, wave functional and electronic properties of 3-{(E)-[-(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol are investigated by utilizing Gaussian 16W density functional theory tool. Optimized geometrical properties, wave functional properties like, localized orbital locators, electron localization… read more here.
Keywords: dichlorophenyl imino; aqueous phase; methyl benzene; imino methyl ... See more keywords
Anti-microbial activity, molecular profiling, electronic properties and molecular docking investigations of 5–[1-hydroxy–2–(isopropylamino)ethyl] benzene–1,3–diol
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131299
Abstract: Abstract This study was carried out to evaluate the of 5-[1-hydroxy–2–(isopropylamino)ethyl]benzene-1,3-diol (5H2IB3D) was characterized by FT-IR, FT-Raman, UV, 1H NMR and 13C NMR spectral analysis. The optimized molecular geometry, the vibrational wave numbers, the infrared… read more here.
Keywords: hydroxy isopropylamino; molecular docking; isopropylamino ethyl; benzene diol ... See more keywords
Synthesis, characterization and biological properties of novel ON donor bidentate Schiff bases and their copper(II) complexes
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DOI: 10.1080/00958972.2017.1350266
Abstract: Abstract Four novel ON donor Schiff bases (E)-3-((4-phenoxyphenylimino)methyl)benzene-1,2-diol (HL1),(E)-3-((4-(4-biphenyloxy)phenyliminomethyl)benzene-1,2-diol (HL2), (E)-3-((4-naphthoxyphenylimino)methyl)benzene-1,2-diol (HL3), (E)-3-((4-(2-naphthoxy)phenylimino)methyl)benzene-1,2-diol (HL4) and their copper(II) complexes bis((E)-3-((4-phenoxyphenylimino)methyl)benzene-1,2-diol) copper(II) (Cu(L1)2) bis((E)-3-((4-(4-biphenyloxy)phenylimino)methyl)benzene-1,2-diol) copper(II) (Cu(L2)2), bis((E)-3-((4-naphthoxyphenylimino)methyl)benzene-1,2-diol) copper(II) (Cu(L3)2), bis((E)-3-((4-(2-naphthoxy)phenylimino)methyl)benzene-1,2-diol) copper(II) (Cu(L4)2) have been synthesized and characterized… read more here.
Keywords: schiff bases; methyl benzene; copper; benzene diol ... See more keywords