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
How to Cite this Article?
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
128 PDF Views | 109 PDF Downloads
Similar Articles with Keyword 'Semi-empirical'
| Weekly Popularity: ⮙1
Research Paper, Chemistry, India, Volume 4 Issue 10, October 2015
Pages: 1603 - 1611Experimental and Theoretical Vibrational Spectroscopic Study of Schiff base Derived from 4-Amino Antipyrine- A Quantum Chemical Study
Kishor Arora, Anu Parmar
Research Paper, Chemistry, India, Volume 4 Issue 9, September 2015
Pages: 1352 - 1357Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Parmar Anu, Arora Kishor
Research Paper, Chemistry, India, Volume 3 Issue 3, March 2014
Pages: 160 - 164QSAR Study of Inhibitors for Human 5α-Reductase of Type-2 by Using Different Descriptors
P. N. Tripathi, Alok Pratap Singh, Kaleem Ahmad
| Weekly Popularity: ⮙2
Research Paper, Chemistry, Iraq, Volume 6 Issue 8, August 2017
Pages: 820 - 827Theoretical Calculations of Vibration Modes and Electronic Properties of (1G) Dendrimers
Huda N. Al - Ani
Similar Articles with Keyword 'AM1'
| Weekly Popularity: ⮙1
Research Paper, Chemistry, India, Volume 4 Issue 10, October 2015
Pages: 1603 - 1611Experimental and Theoretical Vibrational Spectroscopic Study of Schiff base Derived from 4-Amino Antipyrine- A Quantum Chemical Study
Kishor Arora, Anu Parmar
Research Paper, Chemistry, India, Volume 4 Issue 9, September 2015
Pages: 1352 - 1357Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Parmar Anu, Arora Kishor
Similar Articles with Keyword 'PM3'
| Weekly Popularity: ⮙1
Research Paper, Chemistry, India, Volume 4 Issue 10, October 2015
Pages: 1603 - 1611Experimental and Theoretical Vibrational Spectroscopic Study of Schiff base Derived from 4-Amino Antipyrine- A Quantum Chemical Study
Kishor Arora, Anu Parmar
Research Paper, Chemistry, India, Volume 4 Issue 9, September 2015
Pages: 1352 - 1357Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Parmar Anu, Arora Kishor
Research Paper, Chemistry, India, Volume 3 Issue 3, March 2014
Pages: 160 - 164QSAR Study of Inhibitors for Human 5α-Reductase of Type-2 by Using Different Descriptors
P. N. Tripathi, Alok Pratap Singh, Kaleem Ahmad
Research Paper, Chemistry, Iraq, Volume 6 Issue 7, July 2017
Pages: 1656 - 1669Combined Quantum Mechanical and Electrochemical Study of New Isatin Derivative as Corrosion Inhibitor for Carbon Steel in 3.5 % NaCl
Rehab Majed Kubba, Dhuha Abdul-Kareem Challoob, Suaad Mohammed Hussen
| Weekly Popularity: ⮙2
Research Paper, Chemistry, Iraq, Volume 6 Issue 8, August 2017
Pages: 820 - 827Theoretical Calculations of Vibration Modes and Electronic Properties of (1G) Dendrimers
Huda N. Al - Ani
Similar Articles with Keyword 'MNDO'
| Weekly Popularity: ⮙1
Research Paper, Chemistry, India, Volume 4 Issue 10, October 2015
Pages: 1603 - 1611Experimental and Theoretical Vibrational Spectroscopic Study of Schiff base Derived from 4-Amino Antipyrine- A Quantum Chemical Study
Kishor Arora, Anu Parmar
Research Paper, Chemistry, India, Volume 4 Issue 9, September 2015
Pages: 1352 - 1357Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Parmar Anu, Arora Kishor
Similar Articles with Keyword 'ZINDO1'
| Weekly Popularity: ⮙1
Research Paper, Chemistry, India, Volume 4 Issue 10, October 2015
Pages: 1603 - 1611Experimental and Theoretical Vibrational Spectroscopic Study of Schiff base Derived from 4-Amino Antipyrine- A Quantum Chemical Study
Kishor Arora, Anu Parmar
Research Paper, Chemistry, India, Volume 4 Issue 9, September 2015
Pages: 1352 - 1357Semi-Empirical Study of Schiff base Compounds Derived from 4-Dimethylaminoantipyrine
Parmar Anu, Arora Kishor
Similar Articles with Keyword 'correlation'
| Weekly Popularity: ⮙8
Research Paper, Chemistry, India, Volume 10 Issue 4, April 2021
Pages: 307 - 312Quantification of Cyclophosphamide Impurities in Cyclophosphamide Drug Substance and formulations by Ion chromatography
Dr. Chetan Chavan, Chanakya Thaker, Chetan Chaudhari
Research Paper, Chemistry, Kenya, Volume 7 Issue 2, February 2018
Pages: 1283 - 1288Fixed Column Removal of Lead (II) Ions from Industrial Effluent using Pig Bone Char, Rice-Husks Ash and Water Hyacinth Composite Adsorbent
Genson Murithi; Karanja wa Thiong'o; Wachira Muthengia
| Weekly Popularity: ⮙2
Research Paper, Chemistry, India, Volume 9 Issue 12, December 2020
Pages: 741 - 748Determination of Major and Minor Elements in the Rhizome of Kaempferiaparviflora by Analytical Techniques
Rameshor Singh Atom, Warjeet Singh Laitonjam, Rashmi Joshi, Bheeshma Pratap Singh, Raghumani Singh Ningthoujam, E. J. Singh
| Weekly Popularity: ⮙2
Research Paper, Chemistry, Egypt, Volume 3 Issue 12, December 2014
Pages: 1406 - 1409Electrochemical Sensor Based On Carbon Printed Electrode
M. Khodari, A.A.H. Basry, G. Mersal
| Weekly Popularity: ⮙1
Research Paper, Chemistry, Egypt, Volume 3 Issue 11, November 2014
Pages: 2278 - 2281Chronoamperometric Determination of Sulphite Using Gold- Printed Electrode
M. Khodari