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@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 and Cyril RAJNAK. Zero-field splitting in tetracoordinate Co(II) complexes containing heterocyclic aromatic ligands. \textit{Journal of Molecular Structure}. Amsterdam: Elsevier, 2024, vol.~1295, Jan, p.~1-9. ISSN~0022-2860. Available from: https://dx.doi.org/10.1016/j.molstruc.2023.136667.
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