[CdII(Î¼2-O2,Oâ², Oâ³-SO4)(terpy)]2Â·2H2O, 1Â·2H2O (terpy, 2,2â²:6â²,2â³-terpyridine) was obtained from the reaction of 3 CdSO4Â·8H2O with terpy and consists of centrosymmetric dimeric units in which the two Cd(terpy)2+ moieties are held together by two tridentate sulfato anions that act as chelators towards the two metal centres, one oxygen being tri-coordinate. This coordination mode for the sulfato ligand has never been reported before in the solid state. [ZnII(Î¼2-O,Oâ²-SO4) (terpy)]2Â·2H2O, 2Â·2H2O, was obtained by using ZnSO4Â·7H2O through a procedure similar to that followed for 1Â·2H2O. Semi-empirical quantum mechanics and density functional structure optimisations were performed at the AM1 and Becke3LYP/(6-31 G**, S) levels. The computations reproduced well the main features of the Zn(Î¼2-O,Oâ²-SO4)2Zn unit as found in 2. A [Zn(imidazole)2(O-OOCCH3)2 (O-SO4)]2- model was also optimised as a model for ATP-sulfurylase from Saccharomices cerevisae.
|Titolo:||Study of binary and ternary metal complexes containing the sulfato ligand: Molecular models for selected non-catalytic sites in sulfurylase|
|Citazione:||Study of binary and ternary metal complexes containing the sulfato ligand: Molecular models for selected non-catalytic sites in sulfurylase / Tamasi, Gabriella; Cini, Renzo. - STAMPA. - :14(2003), pp. 2928-2936.|
|Appare nelle tipologie:||1.1 Articolo in rivista|