Octanuclear nickel phosphonate core forming extended and
molecular structures

J 2020

Octanuclear nickel phosphonate core forming extended and molecular structures

DOROSHENKO, Iaroslav; Michael BOHME; Axel BUCHHOLZ; Lucie ŠIMONÍKOVÁ; Winfried PLASS et. al.

Základní údaje

Originální název

Octanuclear nickel phosphonate core forming extended and molecular structures

Autoři

DOROSHENKO, Iaroslav; Michael BOHME; Axel BUCHHOLZ; Lucie ŠIMONÍKOVÁ; Winfried PLASS a Jiří PINKAS

Vydání

CrystEngComm, Cambridge, RSC Publishing, 2020, 1466-8033

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.545

Kód RIV

RIV/00216224:14310/20:00117033

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.1039/d0ce01055c

UT WoS

000583363700016

EID Scopus

2-s2.0-85094584441

Klíčová slova anglicky

octanuclear nickel phosphonates; coordination polymers;

Štítky

14313010, CF NMR, CF SAXS, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 25. 2. 2025 09:08, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

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.

Návaznosti

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

90127, velká výzkumná infrastruktura

Název: CIISB II

Citovat

DOROSHENKO, Iaroslav; Michael BOHME; Axel BUCHHOLZ; Lucie ŠIMONÍKOVÁ; Winfried PLASS a Jiří PINKAS. Octanuclear nickel phosphonate core forming extended and molecular structures. CrystEngComm. Cambridge: RSC Publishing, 2020, roč. 22, č. 41, s. 6900-6910. ISSN 1466-8033. Dostupné z: https://doi.org/10.1039/d0ce01055c.

@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 = {https://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 a Jiří PINKAS. Octanuclear nickel phosphonate core forming extended and molecular structures. \textit{CrystEngComm}. Cambridge: RSC Publishing, 2020, roč.~22, č.~41, s.~6900-6910. ISSN~1466-8033. Dostupné z: https://doi.org/10.1039/d0ce01055c.

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