C i -Symmetry, [2 × 2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations
نویسندگان
چکیده
منابع مشابه
Copper(ii) complexes of a polydentate imidazole-based ligand. pH effect on magnetic coupling and catecholase activity.
A potentially dodecadentate N8O4-donor ligand obtained from 2,2'-biimidazole and l-valine and its tetranuclear Cu(ii) complexes in different degrees of protonation were characterized by chemical and spectroscopic methods. The extensive solution studies performed reveal that the rise in pH media leads successively to the formation of imidazolato (pKa(1) and pKa(2) and hydroxido (pKa(3) and pKa(4...
متن کاملPREPARATION AND MOLECULAR STRUCTURE OF 2-BENZYLAMINOPYRIDINE COPPER(1) COMPLEX
2-Benzylaminopyridine (HBAP) reacts with NaH in THF and generates the sodium salt (NaBAP). Further reaction of [Cu(TMEDA) ] [CuCl ] with one equivalent of this ligand in THF leads to the formation of a dimeric Cu(1) complex, [Cu (BAP)] . H 0. The molecular structure has been determined by using a single-crystal X-ray diffraction method. The yellow compound crystallizes in the monoclinic s...
متن کامل2-[(1H-benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester: crystal structure, DFT calculations and biological activity evaluation.
In the present study, structural properties of 2-[(1H-benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester have been studied extensively by spectral methods and X-ray crystallography. Quantum mechanical calculations of energies, geometries, vibrational wavenumbers, NMR and electronic transitions were carried out by DFT using B3LYP functional combined with 6-31G(d) basis set. Natural bond o...
متن کاملNew copper(II)-radical one dimensional chain: Synthesis, crystal structure, EPR, magnetic properties and DFT calculations.
The novel chain compound [Cu(Phtfac)(2)(NITpPy)](n) (where NITpPy = 4-pyridyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide and Phtfac = 4,4,4-trifluoro-1-phenylbutane-1,3-dione) was synthesized and characterized structurally, magnetically and by EPR. The compound contains two non equivalent Cu(II) ions, Cu1 and Cu2, located at inversion centers and bridged by a NITpPy ligand coordinating Cu1 t...
متن کاملStructure and Chromotropic Properties of 2-Picolylamine-Ni(II) Complex
A symmetric complex [NiL2(H2O)2]Cl2, where L = 2-picolylamine was synthesized and characterized by spectroscopic and structural methods. Single crystal X-ray studies reveal that the Ni(II) center located in a pseudo-octahedral N4O2 environment with bidentate ligands L positioned in basal and two water molecules in the apical position. The complex is solvatochromic, ionochromic and thermochromic...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: New Journal of Chemistry
سال: 2017
ISSN: 1144-0546,1369-9261
DOI: 10.1039/c7nj01667k