• DR. ESHA ARORA
• Prof. Amit Kumar

The comprehensive study of isatin and its halogenated derivatives elucidates the multifaceted impact of halogenation on isatin and its derivatives, spanning from stability and electronic transitions to reactivity and vibrational properties. The study, focusses on their relative stability, electronic transitions, NMR chemical shifts, UV-Vis spectroscopy, thermochemistry, global reactivity parameters, and vibrational spectra.The findings demonstrate that specific halogen substitutions can significantly influence the stability, electronic structure, optical properties, thermochemistry, and reactivity of isatin derivatives. These insights could be invaluable for the design and development of new materials and pharmaceuticals based on isatin, highlighting the potential for targeted modifications to achieve desired properties.

NBO (Natural Bond Orbital) analysis, Chemical shifts, UV-Vis spectroscopy, Thermochemistry, Keto-enol tautomerism, Conformational isomerization, Global Reactivity Parameters, Vibrational spectra, Hyperconjugative effect, Resonance effect, Molecular stability, Electronic transitions, Thermodynamic feasibility

"THEORETICAL STUDY OF ISATIN AND ITS HALOGENATED DERIVATIVES", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.11, Issue 3, page no.h113-h136, March-2024, Available :http://www.jetir.org/papers/JETIR2403719.pdf

"THEORETICAL STUDY OF ISATIN AND ITS HALOGENATED DERIVATIVES", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.11, Issue 3, page no. pph113-h136, March-2024, Available at : http://www.jetir.org/papers/JETIR2403719.pdf