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 (703 Slovensko), Jan TITIS (703 Slovensko), Jaromír MAREK (203 Česká republika, domácí), Jan MONCOL (703 Slovensko), Alena KLOKOCIKOVA (703 Slovensko), Christoph WESEMANN (276 Německo), Franz RENZ (276 Německo) a Cyril RAJNAK (703 Slovensko, garant)

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: 3.800 v roce 2022

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1016/j.molstruc.2023.136667

UT WoS

001089107900001

Klíčová slova anglicky

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

Štítky

CF BIC, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 4. 3. 2024 14:16, Mgr. Pavla Foltynová, Ph.D.

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

LM2023042, projekt VaV

Název: Česká infrastruktura pro integrativní strukturní biologii

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CIISB - Česká infrastruktura pro integrativní strukturní biologii

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://dx.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 = {http://dx.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://dx.doi.org/10.1016/j.molstruc.2023.136667.

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