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Journal of Chemistry
Volume 2015, Article ID 136285, 12 pages
Research Article

Spectral Investigation and In Vitro Antibacterial Evaluation of NiII and CuII Complexes of Schiff Base Derived from Amoxicillin and α-Formylthiophene (αft)

Bio-Inorganic and Materials Chemistry Research Laboratory, Tribhuvan University, M.M.A.M. Campus, Biratnagar 56613, Nepal

Received 3 October 2015; Accepted 8 November 2015

Academic Editor: Liviu Mitu

Copyright © 2015 Narendra Kumar Chaudhary and Parashuram Mishra. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The figures describe surface structure and electron mapped density of the ligand computed in ArgusLab software. The HOMO and LUMO plot of the ligand after its geometry optimization through UFF (quantum mechanics) calculation provide real picture of the molecular orbitals. With this study, the final SCF energy of the ligand has been calculated to be −121796.5370 kcal/mol. The final computed geometrical energy of the ligand is 161.2699 kcal/mol and this explains stability of the molecule.

  1. Supplementary Material