[Cu(hyetrz)3](ClO4)2·3H2O
(hyetrz = 4-(2-hydroxyethyl)-1,2,4-triazole) represents the first
structurally characterized
metal(II) chain compound containing triple
N
1,N
2-1,2,4-triazole
bridges. The structure has been solved at 298 K
by single-crystal X-ray analysis.
catena-Poly[μ-tris(4-(2-hydroxyethyl)-1,2,4-triazole-N
1,N
2)copper(II)]
diperchlorate trihydrate
(C12H27N9Cl2O14Cu)
crystallizes in the monoclinic space group
P21/n, a =
13.877(3) Å, b =
23.023(5) Å, c = 15.351(2) Å, β =
91.10(2)°, Z = 8 (Cu(II) units). The
Cu(II) ions are linked by triple
N
1,N
2-1,2,4-triazole bridges yielding a slightly alternating chain with
Cu1−Cu2 = 3.853(2) Å and Cu2−Cu3 = 3.829(2)
Å. The EXAFS results are consistent with the crystal structure.
At 30 K, the EXAFS signature of the multiple
scattering path Cu1−Cu2−Cu3 is clearly observed, confirming that
such exceptional long distance EXAFS signals
can be used to detect metal alignments in inorganic long chains when
crystal structures are not available. The
thermal behavior of this multiple scattering signal was compared to
those of similar Fe(II) low-spin compounds,
and the observed differences have been discussed by comparing their
electronic (dynamic Jahn−Teller effect)
and vibrational properties. The Cu(II) ions are weakly
antiferromagnetically coupled with J = −1.18(2)
cm-1
(based on the Hamiltonian, H =
−J[∑
i
S
i
·S
i
+1]).
The nature and the magnitude of the antiferromagnetic
exchange
have been discussed on the basis of the structural
features.
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