Zero-field splitting in tetracoordinate Co(II) complexes
containing heterocyclic aromatic ligands

J 2024

Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands

BIELKOVA, Zuzana; Jan TITIS; Jaromír MAREK; Jan MONCOL; Alena KLOKOCIKOVA et. al.

Základní údaje

Originální název

Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands

Autoři

BIELKOVA, Zuzana; Jan TITIS; Jaromír MAREK ; Jan MONCOL; Alena KLOKOCIKOVA; Christoph WESEMANN; Franz RENZ a Cyril RAJNAK

Vydání

Journal of Molecular Structure, Amsterdam, Elsevier, 2024, 0022-2860

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10403 Physical chemistry

Stát vydavatele

Nizozemské království

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 4.700

Kód RIV

RIV/00216224:14310/24:00135409

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.1016/j.molstruc.2023.136667

UT WoS

001089107900001

EID Scopus

2-s2.0-85173513294

Klíčová slova anglicky

Cobalt(II) complex; Paramagnetism; Zero-field splitting; Magnetostructural correlations

Štítky

14313010, CF BIC, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 13. 3. 2025 10:58, Mgr. Eva Dubská

Anotace

V originále

A series of tetracoordinate mononuclear Co(II) complexes [Co(L1)2(X)2] (1-3) and [Co(L2)2(X)2] (4-6) {where L1 = 2-amino-1-methyl-benzimidazole; L2 = 4-methylquinoline; X = Cl, Br, I} have been synthesized and studied in detail. Compounds were characterized by spectroscopic methods along with their molecule structure determined by the single-crystal X-ray diffraction. All complexes have been investigated in the static magnetic field Bdc = 0.1 T using SQUID magnetometry. DC magnetic data were fitted by a spin Hamiltonian model appropriate to a zero-field splitting system. The axial zero-field splitting parameters D ranged as-14.44 (1),-13.05 (2),-7.50 (3),-6.76 (4), +7.19 (5),-5.58 (6) cm-1. The experimental zero-field splitting parameters are compared with those ob-tained by ab initio calculations of the CASSCF + NEVPT2 + SOC quality.

Návaznosti

EF18_046/0015974, projekt VaV

Název: Modernizace České infrastruktury pro integrativní strukturní biologii

90242, velká výzkumná infrastruktura

Název: CIISB III

Citovat

BIELKOVA, Zuzana; Jan TITIS; Jaromír MAREK; Jan MONCOL; Alena KLOKOCIKOVA; Christoph WESEMANN; Franz RENZ a Cyril RAJNAK. Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands. Journal of Molecular Structure. Amsterdam: Elsevier, 2024, roč. 1295, Jan, s. 1-9. ISSN 0022-2860. Dostupné z: https://doi.org/10.1016/j.molstruc.2023.136667.

@article{2367043,
   author = {Bielkova, Zuzana and Titis, Jan and Marek, Jaromír and Moncol, Jan and Klokocikova, Alena and Wesemann, Christoph and Renz, Franz and Rajnak, Cyril},
   article_location = {Amsterdam},
   article_number = {Jan},
   doi = {https://doi.org/10.1016/j.molstruc.2023.136667},
   keywords = {Cobalt(II) complex; Paramagnetism; Zero-field splitting; Magnetostructural correlations},
   language = {eng},
   issn = {0022-2860},
   journal = {Journal of Molecular Structure},
   title = {Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands},
   url = {https://www.sciencedirect.com/science/article/pii/S002228602301757X?via%3Dihub},
   volume = {1295},
   year = {2024}
}

TY  - JOUR
ID  - 2367043
AU  - Bielkova, Zuzana - Titis, Jan - Marek, Jaromír - Moncol, Jan - Klokocikova, Alena - Wesemann, Christoph - Renz, Franz - Rajnak, Cyril
PY  - 2024
TI  - Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands
JF  - Journal of Molecular Structure
VL  - 1295
IS  - Jan
SP  - 1-9
EP  - 1-9
PB  - Elsevier
SN  - 00222860
KW  - Cobalt(II) complex
KW  - Paramagnetism
KW  - Zero-field splitting
KW  - Magnetostructural correlations
UR  - https://www.sciencedirect.com/science/article/pii/S002228602301757X?via%3Dihub
N2  - A series of tetracoordinate mononuclear Co(II) complexes [Co(L1)2(X)2] (1-3) and [Co(L2)2(X)2] (4-6) {where L1 = 2-amino-1-methyl-benzimidazole; L2 = 4-methylquinoline; X = Cl, Br, I} have been synthesized and studied in detail. Compounds were characterized by spectroscopic methods along with their molecule structure determined by the single-crystal X-ray diffraction. All complexes have been investigated in the static magnetic field Bdc = 0.1 T using SQUID magnetometry. DC magnetic data were fitted by a spin Hamiltonian model appropriate to a zero-field splitting system. The axial zero-field splitting parameters D ranged as-14.44 (1),-13.05 (2),-7.50 (3),-6.76 (4), +7.19 (5),-5.58 (6) cm-1. The experimental zero-field splitting parameters are compared with those ob-tained by ab initio calculations of the CASSCF + NEVPT2 + SOC quality.
ER  -

BIELKOVA, Zuzana; Jan TITIS; Jaromír MAREK; Jan MONCOL; Alena KLOKOCIKOVA; Christoph WESEMANN; Franz RENZ a Cyril RAJNAK. Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands. \textit{Journal of Molecular Structure}. Amsterdam: Elsevier, 2024, roč.~1295, Jan, s.~1-9. ISSN~0022-2860. Dostupné z: https://doi.org/10.1016/j.molstruc.2023.136667.

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