Synthesis, crystal structure, spectral and DFT studies of potent isatin derived metal complexes

Publication date: 15 August 2018
Source:Journal of Molecular Structure, Volume 1166
Author(s): Sajjad Hussain Sumrra, Aftab Hussain Atif, Muhammad Naveed Zafar, Muhammad Khalid, Muhammad Nawaz Tahir, Muhammad Faizan Nazar, Muhammad Arif Nadeem, Ataualpa A.C. Braga
The isatin-core in compounds offers exciting perspectives in medicinal and pharmacological research. The present study reports the successful development of new isatin-core transition metal based anti-bacterial complexes via conventional refluxing method. The bidentate nature of as-synthesized isatin-core ligand was confirmed using various analytical techniques such as FTIR, ¹H NMR, ¹³C NMR, EIMS, and single crystal X-ray diffraction. The computed analysis i.e. IR, UV–Visible, NBO (Natural Bond Orbital) and FMO (Frontier Molecular Orbital) of crystalline isatin-core ligand reflect its dimer nature and predict the conjugative interaction among molecules. Moreover, metal complexes of isatin-core ligand using metallic salts of first transition series i.e. VO(IV), Cr(III), Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) were prepared and further screened against bacterial strains. Octahedral geometry was proposed for all the complexes except vanadium which had square-pyramidal geometry. All the as-prepared metal complexes are found potentially active entities against both of the gram-positive and gram-negative bacterial strains. Additionally, the bacterial screened data revealed that metal complexes have better bactericidal activities compared to their parent ligand.

Graphical abstract

https://ift.tt/2JGS6HU