Coordination complexes exhibiting anion-pi interactions: synthesis, structure and theoretical studies

Show simple item record Barrios, Leoní A. Aromi, Guillem Frontera Beccaria, Antonio Quiñonero Santiago, David Deyà Serra, Pere Maria Gámez, Patrick Roubeau, Olivier Shotton, Elizabeth J. Teat, Simon J. 2018-09-25T09:53:11Z
dc.description.abstract [eng] The polydentate ligand 2,4,6-tris(dipyridin-2-ylamino)-1,3,5-triazine (dpyatriz) in combination with the Cu(ClO4)2/ CuX2 salt mixtures (X- ) Cl-, Br-, or N3 -) leads to the formation of molecular coordination aggregates with formulas [Cu3Cl3(dpyatriz)2](ClO4)3 (2), [Cu3Br3(dpyatriz)2](ClO4)3 (3), and [Cu4(N3)4(dpyatriz)2(DMF)4(ClO4)2](ClO4)2 (4). These complexes consist of two dpyatriz ligands bridged via coordination to CuII and disposed either faceto- face in an eclipsed manner (2 and 3) or parallel and mutually shifted in one direction. The copper ions complete their coordination positions with Cl- (2), Br- (3), or N3 -, ClO4 -, and N,N-dimethylformamide (DMF) (4) ligands. All complexes crystallize together with noncoordinate ClO4 - groups that display anion · · ·π interactions with the triazine rings. These interactions have been studied by means of high level ab initio calculations and the MIPp partition scheme. These calculations have proven the ClO4 - · · · [C3N3] interactions to be favorable and have revealed a synergistic effect from the combined occurrence of π-π stacking of triazine rings and the interaction of these moieties with perchlorate ions, as observed in the experimental systems.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a:
dc.relation.ispartof Inorganic Chemistry, 2008, vol. 47, p. 5873-5881
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Coordination complexes exhibiting anion-pi interactions: synthesis, structure and theoretical studies
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion 2018-09-25T09:53:11Z info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess

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