dc.contributor.author |
Barrios, Leoní A.
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dc.contributor.author |
Aromi, Guillem
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dc.contributor.author |
Frontera Beccaria, Antonio
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dc.contributor.author |
Quiñonero Santiago, David
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dc.contributor.author |
Deyà Serra, Pere Maria
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dc.contributor.author |
Gámez, Patrick
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dc.contributor.author |
Roubeau, Olivier
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dc.contributor.author |
Shotton, Elizabeth J.
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dc.contributor.author |
Teat, Simon J.
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dc.date.accessioned |
2018-09-25T09:53:11Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/147643 |
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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. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1021/ic800215r |
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dc.relation.ispartof |
Inorganic Chemistry, 2008, vol. 47, p. 5873-5881 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
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dc.title |
Coordination complexes exhibiting anion-pi interactions: synthesis, structure and theoretical studies |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
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dc.date.updated |
2018-09-25T09:53:11Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
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dc.embargo |
2075-01-01 |
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dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
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dc.identifier.doi |
https://doi.org/10.1021/ic800215r |
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