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Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.


In this paper, we present the use of the interaction between aromatic rings — usually called pi - pi interactions — as the main tool in the organization of coordination complexes in a crystal. To do so, we selected coordination compounds with aromatic rings pointing outside the molecules to favor their self-assembly through these interactions. Here we report the molecular and crystal structure of three Cu(II) complexes: [Cu2 (terpy)(bz)] (ClO4)2 (1), [Cu2 (terpy)2 (tfipth)2] (2) and [Cu4 (terpy)4 (tfipth)2(ClO4)2](ClO4) (3), where terpy = 2,2‘:6’,2" terpyridine, bz = benzoate (bz) and tfipth = tetrafluoro-isophthalate. In the three crystals, the interaction between aromatic rings organize molecules in chains that close pack with disordered anions or water molecules located in the space between the chains. A study of the Crystal Structure Database (CSD) indicates that the main interaction in terpy molecules is between a lateral and the central rings of different molecules and when terpy molecules point in opposite directions they tend to form chains, suggesting that these interactions can be used as a design tool. The metal complexes were design to obtain a square pyramidal structure around the metal ion, but we observe a contact between the non-coordinated O (carboxylate) and the Cu(II) ion. We studied the presence of this interaction and its nature with computational chemistry.

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Publication details

The article was received on 08 May 2017, accepted on 02 Jul 2017 and first published on 03 Jul 2017

Article type: Paper
DOI: 10.1039/C7CE00871F
Citation: CrystEngComm, 2017, Accepted Manuscript
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    Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.

    J. Valdes-Martinez, S. Martínez-Vargas, A. Dorazco-Gonzalez, J. E. Barquera-Lozada, S. H. Ortega and R. A. Toscano, CrystEngComm, 2017, Accepted Manuscript , DOI: 10.1039/C7CE00871F

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