Abstract
A new dinuclear paddle-wheel copper(II) complex with caffeine was synthesized by the solvent-based and mechanochemical methods from copper(II) acetate and caffeine in a 1:1 molar ratio. Mechanochemical synthesis was found to be the fastest and easiest way to prepare the complex. The reaction proceeds with addition of small amounts of methanol or ethanol. The complex was characterized by FT-IR spectroscopy, elemental and thermoanalytical methods (TG and DSC) and X-ray diffraction methods. The molecular and crystal structure was determined by the single crystal X-ray diffraction method. The complex molecule consists of a centrosymmetric dinuclear unit, Cu2(-Ac)4(caf)2, with two copper(II) atoms bridged by four acetato groups, and N-coordinated caffeine (caf) molecules in the apical posi-tions.
Highlights
Caffeine (3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione) is a purine alkaloid with very interesting pharmacological properties as a therapeutic agent with analeptic activity
As a part of our interest in copper(II) complexes with molecules of biological importance 22, 23 we describe the synthesis and crystal structure of a new dinuclear copper complex tetrakis( acetato-O:O )-bis(1,3,7-trimethylpurine-2,6-dione) dicopper(II), Cu2( -Ac)4(caf)[2 ], Ac = CH3COO
The complex was obtained by the reaction of copper(II) acetate monohydrate, Cu(Ac)2·H2O, and caffeine (C8H10N4O2) in a 1:1 molar ratio both by the solution‒based method in methanol and mechanochemically by the liquid-assisted grinding (LAG) method with methanol or ethanol in a ball mill (Scheme 2)
Summary
Caffeine (3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione) is a purine alkaloid with very interesting pharmacological properties as a therapeutic agent with analeptic activity. The only example in the series of dimeric copper(II) carboxylates where both apical position are occupied by O-coordinated caffeine molecules is [Cu2(3,5-dinitrobenzoato)4(caf)2] 16 .
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