Pentacoordinate cobalt(II) complexes with neutral tripodal N-donor ligands: Zero-field splitting for a distorted trigonal bipyramidal geometry

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F18%3A73591666" target="_blank" >RIV/61989592:15310/18:73591666 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0020169317313968" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0020169317313968</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ica.2017.11.036" target="_blank" >10.1016/j.ica.2017.11.036</a>

Result language
angličtina
Original language name
Pentacoordinate cobalt(II) complexes with neutral tripodal N-donor ligands: Zero-field splitting for a distorted trigonal bipyramidal geometry
Original language description
A series of pentacoordinate Co(II) complexes of the composition [Co(bpdmpz) Cl] ClO4 (1), [Co(bpdmpz) Cl] PF6 (2), [Co(bdmpzp) Cl] ClO4 center dot 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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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