Repositorio
Institucional

Granifo, Juan

Gavino, Ruben

Freire, Eleonora

Baggio, Ricardo

The new sulphur-containing ligand 4′-(4-methylthiophenyl)-3,2′:6′,3"-terpyridine (L1) and the supramolecular structure of the dinuclear complex [Zn2(μ-L1)(acac)4] (acac = acetylacetonato): The key role of non-covalent S•••O contacts and C-H•••S hydrogen bonds

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JOURNAL OF MOLECULAR STRUCTURE

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The new terpyridyl ligand 4'-(4-methylthiophenyl)-3,2':6',3 ''-terpyridine (Li)) combines with Zn(acac)(2) to form the dizinc complex [Zn-2(u-Li)(acac)(4)] (1) (acac = acetylacetonato). The single crystal structure of 1 shows the existence of two different Zn(acac)2 centres bridged by the Li ligand through its two 3-pyridylnitrogen atoms. The acac and L1 ligands allow the generation of a series of intra- and intermolecular hydrogen bonds of the C-H center dot center dot center dot N, C-H center dot center dot center dot O and C-H center dot center dot center dot pi type. In addition, the presence of the CH3-S group in Li plays a crucial role by providing the non-covalent S center dot center dot center dot O, S center dot center dot center dot H and H(CH3)center dot center dot center dot O contacts, which permit to describe fully this unusual supramolecular network. The NMR spectra of 1 in CDCI3 solution confirm the presence of the two zinc atoms joined by the bridging Li ligand, but, differently to the solid state, their environments are identical. (C) 2011 Elsevier B.V. All rights reserved.#El nuevo ligando terpiridílico 4'-(4-metiltiofenil)-3,2':6',3''-terpiridina (Li)) se combina con Zn(acac)(2) para formar el complejo dizinc [Zn-2(u-Li)(acac)(4)] (1) (acac = acetilacetonato). La estructura de monocristal de 1 muestra la existencia de dos centros Zn(acac)2 diferentes unidos por el ligando Li a través de sus dos átomos de nitrógeno 3-piridílico. Los ligandos acac y L1 permiten la generación de una serie de enlaces de hidrógeno intra e intermoleculares de tipo C-H · Además, la presencia del grupo CH3-S en Li desempeña un papel crucial al proporcionar los contactos no covalentes S ·

artículo original

The authors acknowledge the Universidad de La Frontera (Prayecto DIUFRO No. DI11-0026) for financial support. We also acknowledge the ANPCyT (Project No. PME 01113) for the purchase of the CCD diffractometer and the Spanish Research Council (CSIC) for providing a free-of charge license to the Cambridge Structural Database (Allen, 2002).

Los autores agradecen a la Universidad de La Frontera (Prayecto DIUFRO No. DI11-0026) por el apoyo financiero. Asimismo, agradecen a la ANPCyT (Proyecto No. PME 01113) por la adquisición del difractómetro CCD y al Consejo Superior de Investigaciones Científicas (CSIC) por proporcionar una licencia gratuita para la base de datos estructural de Cambridge (Allen, 2002).

10.1016/j.molstruc.2011.10.038

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S center dot center dot center dot O interactions

C-H center dot center dot center dot S hydrogen bonds

Zinc(II) complexes

Acetylacetonate

4 '-(4-Methylthiophenyl)-3,2 ':6 ',3 ''-terpyridine

ch/pi interactions

Interacciones S ·

S center dot center dot center dot O interactions

C-H center dot center dot center dot S hydrogen bonds

Zinc(II) complexes

Acetylacetonate

4 '-(4-Methylthiophenyl)-3,2 ':6 ',3 ''-terpyridine

ch/pi interactions

Interacciones S ·

Química Inorgánica y Nuclear#Química de los Coloides

The new sulphur-containing ligand 4′-(4-methylthiophenyl)-3,2′:6′,3"-terpyridine (L1) and the supramolecular structure of the dinuclear complex [Zn2(μ-L1)(acac)4] (acac = acetylacetonato): The key role of non-covalent S•••O contacts and C-H•••S hydrogen bonds

JOURNAL OF MOLECULAR STRUCTURE

suscripción

restringido

restringido

en

artículo original

versión publicada

UFRO DI11-0026

ANPCyT PME 01113

UFRO DI11-0026

ANPCyT PME 01113

ELSEVIER

0022-2860

684

691

Chemistry, Physical

Química Física

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WOS:000299148200095