Vol. 4, Issue 3 (2016)
A new approach of Quantum chemical study on 2, 4-Dintrophenylhydrazine derived Schiff base ligand (H2L) using DFT/B3LYP level computation method-Theoretical & Experimental results comparison
Author(s): Dhrubajyoti Majumdar
Abstract: We have synthesized a new novel Schiff’s base ligand 2-[(2,4-Dinitro-phenyl)-hydrazono]-1,2-diphenyl-ethanol (H2L) by 1:1 condensation of 2,4-Dinitrophenyl hydrazine (2,4-DNP) and 2-hydroxy-1,2 biphenyl-ethanone (benzoin).The ligand has been characterized by IR, mass and UV-Vis spectroscopic study as well as common elemental analyses(carbon, hydrogen & nitrogen). In this paper we have reported detailed the optimized structure (fig.1) of Schiff base ligand H2L with the aid of DFT/B3LYP level computation method and proper basis set used 6-31G (d-p). Theoretical IR, UV-Vis spectra are more lucidly interpreted with experimental ones using the optimized structure of reference Schiff base. Schiff base H2L important experimental parameter like bond distances & angles are thorough compared with DFT computation results and they are matched very well.
Pages: 30-34 | 1901 Views 109 Downloads
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How to cite this article:
Dhrubajyoti Majumdar. A new approach of Quantum chemical study on 2, 4-Dintrophenylhydrazine derived Schiff base ligand (H2L) using DFT/B3LYP level computation method-Theoretical & Experimental results comparison. Int J Chem Stud 2016;4(3):30-34.
