Crystallographic Evidence of Nitrate−π Interactions Involving the Electron-Deficient 1,3,5-Triazine Ring
2006; American Chemical Society; Volume: 45; Issue: 17 Linguagem: Inglês
10.1021/ic060101j
ISSN1520-510X
AutoresPalanisamy Uma Maheswari, Barbara Modec, Andrej Pevec, Bojan Kozlevčar, Chiara Massera, Patrick Gámez, J. Reedijk,
Tópico(s)Molecular Sensors and Ion Detection
ResumoThe reaction of Zn(NO3)2·6H2O or Cu(NO3)2·3H2O with the star-shaped ligand 2,4,6-tris(di-2-picolylamino)[1,3,5]triazine (dipicatriz) in acetonitrile results in the formation of the mono- or trinuclear coordination compounds [Zn(dipicatriz)(NO3)2] (1), [Zn3(dipicatriz)(NO3)6](CH3CN)3 (2), and [Cu3(dipicatriz)(NO3)2(H2O)6](NO3)4 (3), depending on the metal-to-ligand ratios used during the crystallization process. Their crystal structures exhibit unique supramolecular interactions. Compounds 1 and 2 show anion−π interactions between coordinated nitrate ions and the s-triazine ring. Compound 3 exhibits remarkable interactions between two noncoordinated nitrate anions and the two faces of the electron-deficient heteroaromatic ring, corroborating earlier theoretical investigations in this area. New theoretical investigations have been carried out on nitrate−π interactions, taking into account the particular position of the anion toward the aromatic ring observed in the crystal structures.
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