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Inne
Structure and magnetic behavior of CuII MOFs supported by 1,2,4-triazolyl-bifunctionalized adamantane scaffold.
Autorzy
Rok wydania
2012
Czasopismo
European Journal of Inorganic Chemistry
Strony
5802-5813
DOI
10.1002/ejic.201200873
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
New triazole‐based CuII metal–organic frameworks, [Cu(tr2ad)(SO4)]·3H2O (1), [Cu3(tr2ad)4(H2O)2(SO4)2]SO4·28H2O (2), [Cu3(tr2ad)4(H2O)4](SiF6)3·16H2O (3), constructed utilizing a rigid adamantane scaffold, tr2ad = 1,3‐bis(1,2,4‐triazol‐4‐yl)adamantane, were prepared hydrothermally, and their crystal structures were determined. The structure of 1 is built up from straight chains of corner‐sharing CuN4O2 octahedra supported by short μ2‐tr (tr = 1,2,4‐triazole) and μ2‐SO42– bridges. The tetradentate character of tr2ad results in the formation of layers. The 2D structures of 2 and 3 consist of discrete secondary building blocks [Cu3(μ2‐N1,N2‐tr)6] with triple [–N–N–] triazole links between the adjacent Cu centers [the Cu‐(tr)‐Cu separations are 3.806 and 3.756 Å for 2 and 3, respectively]. The distorted octahedral N4O2 environment of the peripheral Cu atoms is completed by water molecules and/or terminal sulfate anions. The linear magnetic clusters, which act as nodes, are joined together at average distances of 11.2 and 15.0–15.6 Å into square‐grid‐like networks that exploit the double‐bridging μ3‐ and μ4‐bis(triazole) modules. Uncoordinated counteranions and crystal water molecules fill the interlayer space and channels in the complexes and form extensive H‐bonding patterns. The exchange integrals J1 = 9.8 and J2 ≈ 0 cm–1 for the interaction J1(Ŝ1Ŝ2 + Ŝ2Ŝ3) + J2Ŝ1Ŝ3 were determined for 3 from magnetic susceptibility data and reproduced by a broken‐symmetry DFT calculation. The spin Hamiltonian parameters of 3 were found from high‐field electron paramagnetic resonance (EPR) spectra.
Adres publiczny
https://doi.org/10.1002/ejic.201200873
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