Structural characterisation of p-semiquinone radical in a crystal: X-ray structure and EPR evidence (CROSBI ID 507802)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Molčanov, Krešimir ; Kojić-Prodić, Biserka ; Roboz, Mario ; Grabarić, Božidar
engleski
Structural characterisation of p-semiquinone radical in a crystal: X-ray structure and EPR evidence
In membrane-located proteins, quinone system plays a significant role in electron-transfer reactions. The described work illustrates that semiquinone radical is stabilized in the solid state. Thin dark-red plate-like crystals of p-semiquinone radical were grown by evaporation of mildly alkaline, saturated water solution of hydroquinone. Although stable in air, larger single crystals decay after ca. 20 h exposure to X-rays or UV radiation producing amorphous yellow substance identified as a mixture of quinone and quinhydrone. Solid-state electronic paramagnetic resonance spectra of crystalline p-semiquinone detected its paramagnetic propetries revealing four symmetrically equivalent protons. Crystal strucure was determined at 100 and 150 K (monoclinic, space group P 21/c, a = 3.78 Å ; ; , b = 5.98 Å ; ; , c = 10.79 Å ; ; , β = 90.66°). In both of them, p-semiquinone molecule is centrosymmetric (four protons are, therefore, equivalent), with C-O bond length of 1.295 Å ; ; , corresponding to bond order of 1.5. Molecules are hydrogen bonded into infinite chains (O-H· ; ; · ; ; · ; ; O distance of 2.70 Å ; ; with the proton disordered between two oxygen atoms. This packing is very similar to that of quinhydrone ; the unit cell can be transformed into a half of the unit cell of quinhydrone.
radical; p-semiquinone; EPR
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Podaci o prilogu
C332-C332-x.
2005.
objavljeno
Podaci o matičnoj publikaciji
Acta Cryst., A61
Mealli, Carlo ; Paoli, Paola
Firenza : München: International Union of Crystallography
Podaci o skupu
XX Congress of the International Union of crystallography
poster
23.08.2005-31.08.2005
Firenca, Italija