Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(II) Schiff base complexes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33156234" target="_blank" >RIV/61989592:15310/15:33156234 - isvavai.cz</a>
Result on the web
<a href="http://pubs.rsc.org/en/content/articlehtml/2015/dt/c5dt00600g" target="_blank" >http://pubs.rsc.org/en/content/articlehtml/2015/dt/c5dt00600g</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c5dt00600g" target="_blank" >10.1039/c5dt00600g</a>

Result language
angličtina
Original language name
Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(II) Schiff base complexes
Original language description
A series of pentacoordinate Ni(II) complexes of the general formula [Ni(L5)] (1-6) with various pentadentate Schiff base ligands H(2)L5 (originating in a condensation of aromatic ortho-hydroxy-aldehydes and aliphatic triamines) was synthesized and characterized by X-ray structure analysis and magnetometry. The alternations of substituents on the H2L parent ligand resulted in the complexes with the geometry varying between the square-pyramid and trigonal-bipyramid. In the compounds whose chromophore geometry is closer to a trigonal-bipyramid, a large and negative uniaxial anisotropy (D = -64 cm(-1)) was identified. Moreover, the simple linear expression for the axial zero-field splitting (ZFS) parameter, D/cm(-1) = 32.7(4.8) - 151(10)tau, was proposed,where tau (in degrees) stands for the Addison parameter. The results of magnetic analysis were also supported by ab initio CASSCF/NEVPT2 calculations of the ZFS splitting parameters D and E, and g tensors. Despite large and negative D-val
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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