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Issue 14, 2003
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Study of binary and ternary metal complexes containing the sulfato ligand: molecular models for selected non-catalytic sites in sulfurylase

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Abstract

[CdII2-O2,O′,O″-SO4)(terpy)]2·2H2O, 1·2H2O (terpy, 2,2′:6′,2″-terpyridine) was obtained from the reaction of 3 CdSO4·8H2O 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. [ZnII2-O,O′-SO4)(terpy)]2·2H2O, 2·2H2O, was obtained by using ZnSO4·7H2O through a procedure similar to that followed for 1·2H2O. Semi-empirical quantum mechanics and density functional structure optimisations were performed at the AM1 and Becke3LYP/(6-31G**, S) levels. The computations reproduced well the main features of the Zn(μ2-O,O′-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.

Graphical abstract: Study of binary and ternary metal complexes containing the sulfato ligand: molecular models for selected non-catalytic sites in sulfurylase

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Supplementary files

Article information


Submitted
11 Mar 2003
Accepted
23 May 2003
First published
12 Jun 2003

Dalton Trans., 2003, 2928-2936
Article type
Paper

Study of binary and ternary metal complexes containing the sulfato ligand: molecular models for selected non-catalytic sites in sulfurylase

G. Tamasi and R. Cini, Dalton Trans., 2003, 2928
DOI: 10.1039/B302779A

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