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Supramolecular Isomerism of One‐Dimensional Copper(II) Phosphonate and Its Influence on the Magnetic Properties
Author(s) -
Huang Jian,
Liu PingYing,
Zhu Hui,
Bao SongSong,
Zheng LiMin,
Ma Jing
Publication year - 2012
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201200188
Subject(s) - phosphonate , copper , antiferromagnetism , supramolecular chemistry , chemistry , crystallography , metal , ion , stereochemistry , crystal structure , condensed matter physics , organic chemistry , physics
The reaction of 1‐phosphonomethyl‐2‐benzimidazolpyrrolidine (pmbpH 2 ) and CuCl 2 under slightly different conditions has generated three isomers: [Cu(pmbp)]⋅2.5 H 2 O ( 1 ), [Cu(pmbp)]⋅2 H 2 O ( 2 ), and [Cu(pmbp)(H 2 O)]⋅ x H 2 O ( 3 ). All show 1D chain structures in which the adjacent Cu II 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.