New asymmetric heptaaza Schiff base macrocyclic complex of Mn(II): Crystal structure, biological and DFT studies

作者：Khanmohammadi Hamid^*; Amani Saeid; Abnosi Mohammad H; Khavasi Hamid R

来源：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2010, 77(2): 342-347.

DOI：10.1016/j.saa.2010.02.001

• Antimicrobial
• Crystal structure
• DFT
• Macrocyclic complex
• Schiff base

A new asymmetric heptaaza Schiff base macrocyclic bis(pendant donor) manganese(II) complex, [MnL1](ClO4)(2)center dot CH3CN (1), has been prepared and characterized by X-ray diffraction and spectroscopic methods. The antimicrobial activity of 1 and a series of its familiar symmetric heptaaza [15]pydieneN(5), [16]pydieneN(5), and [17]pydieneN(5)-based bis-(2-aminoethyl) pendant armed Schiff base macrocyclic complexes of Mn(II) were tested against Escherichia coli. Staphylococcus aureus and Candida albicans. The results showed that the symmetric heptaaza [16]pydieneN(5), and [17]pydieneN(5)-based Schiff base macrocyclic complexes of Mn(II) had remarkable inhibition zone on the culture of S. aureus and E. coli as compared with standard drugs. The optimized geometry of the prepared complex has been obtained from density functional method, DFT, using B3LYP/6-31G* basis set.

• 出版日期2010-10-1