Title
Synthesis, Molecular structure, Spectral Characterization, Molecular docking and biological activities of (E)-N-(2-methoxy benzylidene) anthracene-2-amine and Co(II), Cu(II) and Zn(II) complexes
Author
P. Aravindan
Year
2021
Journal
Journal of Molecular Structure
Abstract
(E)-N-(2-methoxy benzylidene) anthracene-2-amine (Schiff base) and its metal complexes of Co(II), Cu(II) and Zn(II) have been synthesized and characterized using elemental analysis, FT-IR, Fluorescence, EPR, UV-Vis and NMR spectra. Results of all the characterizations indicated that, four co-ordinated geometry is allocated to these metal complexes and it is implied that ligand acts as bidentate and coordinate to metal through azomethine N and O atoms of 2-methoxy benzaldehyde. Molecular geometries of metal complexes and neutral ligand were optimized using Density Functional Theory (DFT) B3LYP functional/6–31G++(d,p) basis set. Further, the physico-chemical parameters viz., Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO), chemical hardness, softness, electro‐negativity, Molecular Electrostatic Potential (MEP) and Natural Atomic Charges (NAC) have been calculated and then the relevant parameters were discussed. The Schiff base ligand and synthesized metal complexes were screened for their biological activities (Molecular docking, antibacterial and antifungal activities) and are found to be acted well as biological agents.mostly unknown and, until now, have been considerably less studied with respect to other contemporary painting materials. In this framework, research herein reports the results of a comprehensive multi-analytical study of 44 pastel crayons of two recognized brands (LeFranc and Dr. F. Schoenfeld) from the Munch museum collection of original materials belonging to Edvard Munch. The integrated use of complementary spectroscopic and hyphenated mass-spectrometry techniques allowed the compositional profiles of the crayons to be traced providing the identification of the inorganic and organic pigments, the fillers/extenders and the binders. All crayons resulted to be oil- based and the binder was identified to be a mixture of a drying oil (safflower or linseed oil), palm oil or Japan wax and beeswax. Among others, pigments such as ultramarine, chrome yellows, Prussian blue, manganese violet, viridian and madder lake have been identified. A significant alignment in formulations of the brands was observed with the only exception of the greens which showed distinctive pigment and filler compositions. The analytical information provided for these commercial artists’ materials will be of great interest for academia, museum and other institutions hosting art collections dating from the same period and it will be used by the Munch museum to draw proper conservation strategies of its own artwork collections.
Instrument
FT/IR-4700, V-530
Keywords
metal, complex, ligand, biological activity