Pentacoordinate cobalt(II) complexes with neutral tripodal N-donor ligands: Zero-field splitting for a distorted trigonal bipyramidal geometry
| Autor: | Zdenek Travnicek, Megan M. Parfait, Radovan Herchel, Salah S. Massoud, Roland Fischer, Franz-Andreas Mautner |
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| Rok vydání: | 2018 |
| Předmět: |
010405 organic chemistry
Chemistry chemistry.chemical_element Geometry Crystal structure Zero field splitting 010402 general chemistry 01 natural sciences 0104 chemical sciences Inorganic Chemistry Magnetic anisotropy Trigonal bipyramidal molecular geometry T-shaped molecular geometry Materials Chemistry Narrow range Amine gas treating Physical and Theoretical Chemistry Cobalt |
| Zdroj: | Inorganica Chimica Acta. 471:630-639 |
| ISSN: | 0020-1693 |
| DOI: | 10.1016/j.ica.2017.11.036 |
| Popis: | A series of pentacoordinate Co(II) complexes of the composition [Co(bpdmpz)Cl]ClO4 (1), [Co(bpdmpz)Cl]PF6 (2), [Co(bdmpzp)Cl]ClO4·H2O (3), [Co(bdmpzp)Cl]PF6 (4), [Co(tdmpza)Cl]ClO4 (5) and [Co(tdmpza)Cl]PF6 (6) (bpdmpz = bis[(2-pyridylmethyl)-(di(3,5-dimethyl-1H-pyrazolyl)methyl)]amine, bdmpzp = bis[(di(3,5-dimethyl-1H-pyrazolyl)methyl))-(2-pyridylmethyl)]amine and tdmpza = tris[di(3,5-dimethyl-1H-pyrazolyl)methyl)]amine) was prepared and thoroughly characterized. Single-crystal X-ray analyses of complexes 1–5 revealed that they possess very close molecular structures with a distorted trigonal bipyramidal geometry. The static DC magnetic experiments revealed the ZFS parameters pointing out small magnetic anisotropy (with the |D| values lying in a relative narrow range of 4.4–5.7 cm−1) and rhombicity (with the E/D parameters in the range of 0–0.26). The dynamic magnetic data revealed that AC susceptibility is temperature and frequency-dependent for 1, 2 and 3, and thus, these compounds belong to a group of field-induced pentacoordinate Co(II) single-molecule magnets (SMMs). The evaluation of magnetic data was also supported by the CASSCF/NEVPT2 calculations. |
| Databáze: | OpenAIRE |
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