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. Furthermore, 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.
- Authors:
-
- Universitat de Barcelona, Barcelona (Spain)
- CSIC and Universidad de Zaragoza, Zaragoza (Spain)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1214431
- Grant/Contract Number:
- AC02-05CH11231; Starting Grant (258060 FuncMolQIP)
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemical Science
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 1; Journal ID: ISSN 2041-6520
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Velasco, V., Aguilà, D., Barrios, L. A., Borilovic, I., Roubeau, O., Ribas-Ariño, J., Fumanal, M., Teat, S. J., and Aromi, G. New coordination features; A bridging pyridine and the forced shortest non-covalent distance between two CO32- species. United States: N. p., 2014.
Web. doi:10.1039/C4SC02491E.
Velasco, V., Aguilà, D., Barrios, L. A., Borilovic, I., Roubeau, O., Ribas-Ariño, J., Fumanal, M., Teat, S. J., & Aromi, G. New coordination features; A bridging pyridine and the forced shortest non-covalent distance between two CO32- species. United States. https://doi.org/10.1039/C4SC02491E
Velasco, V., Aguilà, D., Barrios, L. A., Borilovic, I., Roubeau, O., Ribas-Ariño, J., Fumanal, M., Teat, S. J., and Aromi, G. Mon .
"New coordination features; A bridging pyridine and the forced shortest non-covalent distance between two CO32- species". United States. https://doi.org/10.1039/C4SC02491E. https://www.osti.gov/servlets/purl/1214431.
@article{osti_1214431,
title = {New coordination features; A bridging pyridine and the forced shortest non-covalent distance between two CO32- species},
author = {Velasco, V. and Aguilà, D. and Barrios, L. A. and Borilovic, I. and Roubeau, O. and Ribas-Ariño, J. and Fumanal, M. and Teat, S. J. and Aromi, G.},
abstractNote = {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. Furthermore, 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.},
doi = {10.1039/C4SC02491E},
journal = {Chemical Science},
number = 1,
volume = 6,
place = {United States},
year = {Mon Sep 29 00:00:00 EDT 2014},
month = {Mon Sep 29 00:00:00 EDT 2014}
}
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Figures / Tables:
Scheme 1: Pyridine-spaced bis-b-diketone ligands (A), and coordination mode in complexes of the type [M–Ln–M]7+ (B).
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