J 2020

Octanuclear nickel phosphonate core forming extended and molecular structures

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

Basic information

Original name

Octanuclear nickel phosphonate core forming extended and molecular structures

Authors

DOROSHENKO, Iaroslav (804 Ukraine, belonging to the institution), Michael BOHME (276 Germany), Axel BUCHHOLZ (276 Germany), Lucie ŠIMONÍKOVÁ (203 Czech Republic, belonging to the institution), Winfried PLASS (276 Germany) and Jiří PINKAS (203 Czech Republic, guarantor, belonging to the institution)

Edition

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

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10400 1.4 Chemical sciences

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

Impact factor

Impact factor: 3.545

RIV identification code

RIV/00216224:14310/20:00117033

Organization unit

Faculty of Science

DOI

UT WoS

000583363700016

Keywords in English

octanuclear nickel phosphonates; coordination polymers;

Tags

Tags

International impact, Reviewed
Změněno: 7/12/2020 18:57, Mgr. Marie Šípková, DiS.

Abstract

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.

Links

LM2018127, research and development project
Name: Česká infrastruktura pro integrativní strukturní biologii (Acronym: CIISB)
Investor: Ministry of Education, Youth and Sports of the CR
LQ1601, research and development project
Name: CEITEC 2020 (Acronym: CEITEC2020)
Investor: Ministry of Education, Youth and Sports of the CR