Issue 1, 2015

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

Abstract

The 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.

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

Supplementary files

Article information

Article type
Edge Article
Submitted
15 Aug 2014
Accepted
28 Sep 2014
First published
29 Sep 2014
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY license

Chem. Sci., 2015,6, 123-131

Author version available

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

V. Velasco, D. Aguilà, L. A. Barrios, I. Borilovic, O. Roubeau, J. Ribas-Ariño, M. Fumanal, S. J. Teat and G. Aromí, Chem. Sci., 2015, 6, 123 DOI: 10.1039/C4SC02491E

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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