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@article{1697878,
author = {Doroshenko, Iaroslav and Bohme, Michael and Buchholz, Axel and Šimoníková, Lucie and Plass, Winfried and Pinkas, Jiří},
article_location = {Cambridge},
article_number = {41},
doi = {http://dx.doi.org/10.1039/d0ce01055c},
keywords = {octanuclear nickel phosphonates; coordination polymers;},
language = {eng},
issn = {1466-8033},
journal = {CrystEngComm},
title = {Octanuclear nickel phosphonate core forming extended and molecular structures},
url = {https://doi.org/10.1039/D0CE01055C},
volume = {22},
year = {2020}
}
TY - JOUR
ID - 1697878
AU - Doroshenko, Iaroslav - Bohme, Michael - Buchholz, Axel - Šimoníková, Lucie - Plass, Winfried - Pinkas, Jiří
PY - 2020
TI - Octanuclear nickel phosphonate core forming extended and molecular structures
JF - CrystEngComm
VL - 22
IS - 41
SP - 6900-6910
EP - 6900-6910
PB - RSC Publishing
SN - 14668033
KW - octanuclear nickel phosphonates
KW - coordination polymers;
UR - https://doi.org/10.1039/D0CE01055C
L2 - https://doi.org/10.1039/D0CE01055C
N2 - Three new nickel phosphonate complexes {[Na2Ni8(L)(6)]center dot nSolv}(m) (L = SAA(3-) (1), BSAA(3-) (2), NAA(3-) (3); Solv = H2O, MeOH; m = 8 (1, 2), 1 (3)) were synthesized. All three complexes possess a novel octanuclear {Ni-8} phosphonate core, which consists of four dinuclear doubly oxygen-bridged units, further interconnected to each other by phosphonate oxygen bridges. The steric features of the ligands influence the aggregation degree. Molecules of 1 and 2 are interconnected by sodium cations into 2D layered and 1D chain extended structures, respectively, while the molecules of 3 with the bulkiest ligand are not bonded with each other. Magnetic properties of the obtained {Ni-8} core unit were studied for complex 1 as a representative of this family of compounds and are reported in detail. Magnetic susceptibility at low temperature is indicative of a singlet ground state. The absence of saturation and the magnetization behavior points to zero-field splitting (ZFS). Simulation of the magnetization data revealed an easy-plane magnetic anisotropy with an axial ZFS parameter D = 7.4 cm(-1). The magnetic properties of 1 were also studied by broken-symmetry DFT calculations (BS-DFT), which revealed the presence of ferromagnetic exchange interactions within the dinuclear units of the {Ni-8} core with a dominant antiferromagnetic interaction between these dinuclear entities. These results are in good agreement with coupling constants derived from the experimental susceptibility and magnetization data.
ER -
DOROSHENKO, Iaroslav, Michael BOHME, Axel BUCHHOLZ, Lucie ŠIMONÍKOVÁ, Winfried PLASS and Jiří PINKAS. Octanuclear nickel phosphonate core forming extended and molecular structures. \textit{CrystEngComm}. Cambridge: RSC Publishing, 2020, vol.~22, No~41, p.~6900-6910. ISSN~1466-8033. Available from: https://dx.doi.org/10.1039/d0ce01055c.
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