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- W2983224737 endingPage "119245" @default.
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- W2983224737 abstract "The isatin-Schiff bases 3-(o/p-tolylimino)indolin-2-one (HL1 and HL2) undergo tautomerization from lactam (L)- to enol (E)-form in solution, which in turn reacts with zinc(II) nitrate to give bis[3-(o/p-tolylimino)indole-2-olato-κ2N,O]-Δ/Λ-zinc(II) (1 and 2). IR spectra for the Schiff bases suggest solely the lactam-form at solid state, while both the forms in solution. 1H NMR spectra show the peaks associated to both the lactam- and enol-forms in solution. Molecular structure for HL1 explores two symmetry independent molecules (A and B) in an asymmetric unit due to intermolecular O⋯H and N⋯H hydrogen bonding interactions. The molecule crystallises with monoclinic P21/n space group. Supramolecular analyses suggest that the packing in the crystals is organized, in addition to hydrogen bonds, by a few intra- and inter-molecular C–H…π contacts. Studies of Hirshfeld surfaces using CrystalExplorer strongly support the quantitative analyses by supramolecular packing in the crystals. 1H NMR spectra for 1 or 2 show two sets of peaks for each proton, correspond to the Δ-Zn and Λ-Zn configured isomers at a ratio of ca. 65:35, resulting from induced chirality at-metal centre. 1H NMR spectra taken at different time intervals rule out any possibility of interconversion between the isomers in solution, that is, the same ratio of the isomers exists at solid state. These results indicate preferential formation one isomer over another (i.e., Δ-Zn or Λ-Zn) both in solution and at solid state. Optimized structures and excited state properties by DFT/TDDFT correspond well to the experimental results." @default.
- W2983224737 created "2019-11-22" @default.
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- W2983224737 date "2020-02-01" @default.
- W2983224737 modified "2023-09-24" @default.
- W2983224737 title "Syntheses, spectroscopy, tautomerism, induced chirality and molecular structure of 3-(o/p-tolylimino)indolin-2-one and bis[3-(o/p-tolylimino)indole-2-olato-κ2N,O]-Δ/Λ-zinc(II)" @default.
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- W2983224737 doi "https://doi.org/10.1016/j.ica.2019.119245" @default.
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