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The mechanism of magnetic exchange interaction in an interesting Cu II coordination polymer with the Cu I2 X 2 (X=I or Br) moiety bridge is investigated by the calculations based on density functional theory combined with the broken-symmetry approach (DFT-BS). Surprisingly, different from the experiment results, the calculations reveal that the complex between the magnetic...
A new organically templated iron(II) phosphatooxalate, (N 2 C 4 H 12 )[Fe 4 (C 2 O 4 ) 3 (HPO 4 ) 2 (H 2 O) 2 ] I, has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. The structure possesses infinite chains made from Fe 2 O 10 dimers and PO ...
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