Structural Aspects of Indoline-2,3-dione-3-oxime: An Approach towards Experimental and Theoretical Perspectives | Chapter 08 | New Innovations in Chemistry and Biochemistry Vol. 6

 IDOX (indoline-2,3-dione-3-oxime) was synthesised and analysed using infrared, mass, and 1H-NMR. Quantum mechanical computations were performed using the Hyper Chem 7.5 programme. The goal of this study was to identify the molecular components of Indoline-2,3-dione-3-oxime (IDOX) and to learn more about its structural features.

The Ab Initio approach was used to perform the geometry optimization. The semi empirical single point AM1 approach was used to create theoretical spectral data and QSAR parameters. For the optimised keto and enol versions of the IDOX molecule, the HOMO and LUMO frontier orbital energies were also estimated. The theoretical and experimental spectral data are virtually identical. In IDOX, pH-metry investigations revealed the existence of one dissociable proton. The structure of Indoline-2,3-dione-3-oxime is described in this paper
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Author (S) Details

K. Laxmi
Department of Chemistry, Chaitanya Bharathi Institute of Technology (CBIT), Gandipet, Hyderabad, India.

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