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 (804 Ukrajina, domácí), Michael BOHME (276 Německo), Axel BUCHHOLZ (276 Německo), Lucie ŠIMONÍKOVÁ (203 Česká republika, domácí), Winfried PLASS (276 Německo) a Jiří PINKAS (203 Česká republika, garant, domácí)

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

http://dx.doi.org/10.1039/d0ce01055c

UT WoS

000583363700016

Klíčová slova anglicky

octanuclear nickel phosphonates; coordination polymers;

Štítky

CF NMR, CF SAXS, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 7. 12. 2020 18:57, Mgr. Marie 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

LM2018127, projekt VaV

Název: Česká infrastruktura pro integrativní strukturní biologii (Akronym: CIISB)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Czech Infrastructure for Integrative Structural Biology

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

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

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://dx.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 = {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 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://dx.doi.org/10.1039/d0ce01055c.

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