The new sulphur-containing ligand 40-(4-methylthiophenyl)-3,20:60,300-terpyridine (L1) and the supramolecular structure of the dinuclear complex [Zn2(l-L1)(acac)4] (acac = acetylacetonato): The key role of non-covalent S_ _ _O contacts and C–H_ _ _S hydro

JUAN GRANIFO; RUBEN GAVIÑO; ELEONORA FREIRE; RICARDO BAGGIO

JOURNAL OF MOLECULAR STRUCTURE

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2011 vol. 1006 p. 684 - 691

0022-2860

The new terpyridyl ligand 40-(4-methylthiophenyl)-3,20:60,300-terpyridine (L1) combines with Zn(acac)2 toform the dizinc complex [Zn2(l-L1)(acac)4] (1) (acac = acetylacetonato). The single crystal structure of 1shows the existence of two different Zn(acac)2 centres bridged by the L1 ligand through its two 3-pyridylnitrogenatoms. The acac and L1 ligands allow the generation of a series of intra- and intermolecularhydrogen bonds of the C–H  N, C–H  O and C–H  p type. In addition, the presence of the CH3–S groupin L1 plays a crucial role by providing the non-covalent S  O, S  H and H(CH3)  O contacts, which permitto describe fully this unusual supramolecular network. The NMR spectra of 1 in CDCl3 solution con-firm the presence of the two zinc atoms joined by the bridging L1 ligand, but, differently to the solid state,their environments are identical.