Synthesis, crystal structure, spectroscopic, magnetic, theoretical, and microbiological studies of a nickel(II) complex of L-tyrosine and imidazole, [Ni(Im)2(L-tyr)2]·4H2O.
The [Ni(Im)(2)(L-tyr)(2)]·4H(2)O (1) complex was obtained in crystalline form as a product of interaction of L-tyrosine sodium salt, imidazole, and NiSO(4). The X-ray structure was determined, and the spectral (IR, FIR, NIR-vis-UV, HF EPR) and magnetic properties were studied. The Ni(2+) ion is hexacoordinated by the N and O atoms from two L-tyrosine molecules and by two N atoms of imidazole, resulting in a slightly distorted octahedral [NiN(2)N(2)'O(2)] geometry with a tetragonality parameter T = 0.995. The bands observed in the electronic spectra were ascribed to the six spin-allowed electronic transitions (3)B(1g) → (3)E(g) and (3)B(2g), (3)B(1g) → (3)A(2g) and (3)E(g), and (3)B(1g) → (3)A(2g) and (3)E(g). The spin Hamiltonian parameters g, D, and E, which were determined from high-field HF EPR spectra, excellently reproduced the magnetic properties of the complex. Calculation of the zero-field splitting in the S = 1 state of nickel(II) using DFT and UHF was attempted. The biological activity of the complexes has been tested for antifungal and antibacterial effects against Aspergillus flavus, Fusarium solani, Penicillium verrucosu, Bacillus subtilis, Serratia marcescens, Pseudomonas fluorescens, and Escherichia coli.
Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspiańskiego 27, 50-370 Wroclaw, Poland. agnieszka.wojciechowska@pwr.wroc.pl
Agnieszka
A
Wojciechowska
Marek
M
Daszkiewicz
Zbigniew
Z
Staszak
Agnieszka
A
Trusz-Zdybek
Alina
A
Bieńko
Andrzej
A
Ozarowski
D000890:Anti-Infective Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D001419:Bacteria / Q000187:drug effects; D001424:Bacterial Infections / Q000188:drug therapy; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D018360:Crystallography, X-Ray; D005658:Fungi / Q000187:drug effects; D007093:Imidazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D008958:Models, Molecular; D009181:Mycoses / Q000188:drug therapy; D009532:Nickel / Q000737:chemistry* / Q000494:pharmacology; D013057:Spectrum Analysis; D014443:Tyrosine / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
D000890:Anti-Infective Agents; D056831:Coordination Complexes; D007093:Imidazoles; D014443:Tyrosine; C029899:imidazole; D009532:Nickel