| Autor: |
Wojciech Nitek, Mitsuru Akaki, Masayuki Hagiwara, Takamitsu Fukuda, Mateusz Reczyński, Kengo Nishii, Beata Nowicka, Barbara Sieklucka, Yuya Sawada |
| Jazyk: |
angličtina |
| Rok vydání: |
2021 |
| Předmět: |
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| Popis: |
Two mononuclear complexes [Ni(dapsc)(H2O)2]Cl(NO3)·H2O (1) and [Ni(dapsc)(NCS)2] (2), and a bimetallic CN-bridged trinuclear molecule [NiII(dapsc)(H2O)]2[WIV(CN)8]·11H2O (3) (dapsc = 2,6-diacetylpyridine-bis(semicarbazone)) were synthesised and characterised in terms of structure and magnetic properties. All three compounds contain Ni(II) ions in a pentagonal bipyramid coordination geometry afforded by the equatorial pentadentate ligand (dapsc) and two O- or N-donating axial ligands. The compounds differ in the relative arrangement of the complexes, intermolecular interactions and distortion from the ideal coordination geometry. The high-field EPR and magnetometric studies show large anisotropy of the Ni(II) centres with the D parameters in the range of −10.5 to −21.2 cm−1 and negligible antiferromagnetic interactions. The easy-axis magnetic anisotropies of 1–3 were reproduced by ab initio CASSCF/NEVPT2 calculations. The ground states consist mainly of the |MS〉 = |±1〉 states, which is consistent with the fact that no out-of-phase signal can be detected in the AC magnetic susceptibility measurements. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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