Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Journal: International Journal of Science and Research (IJSR) (Vol.4, No. 9)Publication Date: 2015-09-05
Authors : Parmar Anu; Arora Kishor;
Page : 1352-1357
Keywords : Semi-empirical; AM1; PM3; MNDO; ZINDO1; Normal modes Frequency; correlation;
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.
Other Latest Articles
- Optimization of Base Frame of Multistage Centrifugal Pump maintaining the Shaft Deflection as per API Standards
- The Role of the Goods and Service Tax (GST) in Development of Indian Economy
- Display the Results of Some Researcher about the use of Recycled Aggregate in New Concrete
- Genu Varum: A Study Highlighting the Prevalence of Genu Varum and Its Association with Different Gender
- Low Power Self-Timed TCAM Based on Overlapped Search Mechanism with IP Filter Implementation
Last modified: 2021-06-30 21:53:24