@Article{pakinsight,
AUTHOR = {},
TITLE = {Synthesis, Characterization, Antimicrobial and Cytotoxic Studies on Some Novel Transition Metal Complexes of Schiff Base Ligand Derived From Sulfadiazine with Molecular Orbital Calculations},
JOURNAL = {International Journal of Chemistry and Materials Research},
VOLUME = {2},
YEAR = {2014},
NUMBER = {1},
PAGES = {1-16},
URL = {http://www.pakinsight.com/archive/64/01-2014/1},
ISSN = {2311-763X},
ABSTRACT = {Some  selected  solid  complexes  of  the  Schiff  base  ligand  HL  derived  from Sulfadiazine  with Co(II), Ni(II) and Cu(II)  ions were synthesized and characterized by Micro-analysis, FTIR,   Electronic,   Mass,   and   ESR   Spectral   Analyses,   Magnetic susceptibility and  Molar  Conductance  Measurements.  The  disappearance  of ν(O-H)  hydroxyl band of the phenolic and the lowering shift of the stretching frequency of the ν(CH=N) azomethine band in the ligand after complexation, indicated the coordination through the phenolic oxygen atom (after deprotonation) and azomethine nitrogen atom respectively  of  the  Schiff  base ligand  HL. The lower values of molar conductance indicate the non-electrolytic nature of these complexes. The ESR spectrum of the HL copper complex has octahedral geometry. The molecular structures of the investigated compounds were studied by PM3 method, also the heat of formations,  HOMO, LUMO and dipole moments were calculated to confirm the geometry of the ligand and the it’s complexes.  The  antimicrobial  screening  of  the  synthesized  compounds  HL  and  its complexes  1-3  were  investigated. The Schiff  base ligand  HL  showed  weaker  to significant activity against one or more bacterial and fungal strains. In most of the cases higher activities were exhibited upon coordination with metal ions(II). In addition, calculations  in  silico,  the  Pharmacokinetic  parameters  have  promising  features  for applying the ligand as drug.},
DOI = {}
}