Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Abstract: In this study 2, 3-Dimethyl-4-N- [ (-chloro) benzalidene]aminoantipyrine, 2, 3-Dimethyl-4- [ (2-Nitro) benzalidene]aminoantipyrine, 2, 3-Dimethyl-4- [ (4-Hydroxy-3-methoxy) benzalidene]aminoantipyrine Schiff base of 4-Dimethylaminoantipyrine has been subjected to semi-empirical study by using AM1, PM3, MNDO and ZINDO1 quantum chemical methods. we report here computed parameters viz. Total Energy (TE), Electronic Energy (EE), Core-core Interaction (CCI), Heat of Formation (HF), Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital ( LUMO), Energy Gap (EG), Dipole Moment (DM), Zero Point Energy (ZPE) and normal mode frequency of vibration have been also reported. A good correlation has been observed between different quantum chemical methods.
Keywords: Semi-empirical, AM1, PM3, MNDO, ZINDO1, Normal modes Frequency, correlation
How to Cite?: Parmar Anu, Arora Kishor, "Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine", Volume 4 Issue 9, September 2015, International Journal of Science and Research (IJSR), Pages: 1352-1357, https://www.ijsr.net/getabstract.php?paperid=SUB158356, DOI: https://dx.doi.org/10.21275/SUB158356