Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
www.ijsr.net | Open Access | Fully Refereed | Peer Reviewed International Journal

ISSN: 2319-7064

Research Paper | Chemistry | India | Volume 4 Issue 9, September 2015

Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine

Parmar Anu, Arora Kishor

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

Edition: Volume 4 Issue 9, September 2015

Pages: 1352 - 1357

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Parmar Anu, Arora Kishor, "Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=SUB158356, Volume 4 Issue 9, September 2015, 1352 - 1357

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