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New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32− species

AutorVelasco, Verónica; Aguilà, D.; Barrios, L. A.; Borilovic, Ivana; Roubeau, Olivier; Ribas-Ariño, Jordi; Fumanal, M.; Teat, Simon J.; Aromí, Guillem
Fecha de publicación2015
EditorRoyal Society of Chemistry (Great Britain)
CitaciónChemical Science 6(1): 123-131 (2015)
ResumenThe aerobic reaction of the multidentate ligand 2,6-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-pyridine, H4L, with Co(II) salts in strong basic conditions produces the clusters [Co4(L)2(OH)(py)7]NO3 (1) and [Co8Na4(L)4(OH)2(CO3)2(py)10](BF4)2 (2). Analysis of their structure unveils unusual coordination features including a very rare bridging pyridine ligand or two trapped carbonate anions within one coordination cage, forced to stay at an extremely close distance (dO⋯O = 1.946 Å). This unprecedented non-bonding proximity represents a meeting point between long covalent interactions and “intermolecular” contacts. These original motifs have been analysed here through DFT calculations, which have yielded interaction energies and the reduced repulsion energy experimented by both CO32− anions when located in close proximity inside the coordination cage.
DescripciónThis article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Versión del editorhttp://dx.doi.org/10.1039/C4SC02491E
URIhttp://hdl.handle.net/10261/121242
DOI10.1039/C4SC02491E
ISSN2041-6520
E-ISSN2041-6539
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