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- Publisher
- Wiley
- Copyright
- Copyright © 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
- ISSN
- 2192-6506
- eISSN
- 2192-6506
- DOI
- 10.1002/cplu.201200188
- Publisher site
- See Article on Publisher Site
Abstract
The reaction of 1‐phosphonomethyl‐2‐benzimidazolpyrrolidine (pmbpH2) and CuCl2 under slightly different conditions has generated three isomers: (Cu(pmbp))⋅2.5 H2O (1), (Cu(pmbp))⋅2 H2O (2), and (Cu(pmbp)(H2O))⋅x H2O (3). All show 1D chain structures in which the adjacent CuII ions are connected purely by the OPO bridges, but the chains are packed in different manners. Dominant antiferromagnetic interactions are observed in these compounds. However, the coupling constant between the metal centers varies significantly for the isomers, which is attributed mainly to the intrachain structural parameters, such as the intrachain Cu⋅⋅⋅Cu distance and the torsion angles over the phosphonate bridge. DFT calculations have been conducted to understand the magnetostructural relationship.
Journal
ChemPlusChem – Wiley
Published: Dec 1, 2012