Corpus ID: 100178308

Synthesis, spectroscopic characterizations and quantum chemicalcomputational studies of 6-fluoro-N-(4-substitutedbenzylidene)-1H-indazol-3-amine

@inproceedings{Santhi2016SynthesisSC,
  title={Synthesis, spectroscopic characterizations and quantum chemicalcomputational studies of 6-fluoro-N-(4-substitutedbenzylidene)-1H-indazol-3-amine},
  author={N. Santhi and B. Prabhakaran},
  year={2016}
}
In the present investigation five number of Schiff base derivatives was synthesized and characterized by FT-IR, and spectra. To identify the stable structure of the molecule meticulous conformational analysis was performed. The optimized geometrical parameters obtained by DFT calculations using B3LYP/6-31G(d,p) level method. The calculated HOMO and LUMO energies show that the charge transfers occur with in the molecule. Mulliken charges were also calculated using B3LYP/6-31G(d,p) level method… Expand