Synthesis and characterization of dinuclear {Ce(III)-Zn(II)} and {Ce(III)-Cu(II)} complexes stabilized by μ2-phenolato bridges

Zuzana Bielková; Dominika Kendrová; Ján Titiš; Erika Samoľová; Ondřej Malina; Gerald Dräger; Ján Moncoľ; Roman Boča; Cyril Rajnák

doi:10.1016/j.molstruc.2025.144535

Synthesis and characterization of dinuclear {Ce(III)-Zn(II)} and {Ce(III)-Cu(II)} complexes stabilized by μ₂-phenolato bridges

Zuzana Bielková, Dominika Kendrová, Ján Titiš, Erika Samoľová, Ondřej Malina, Gerald Dräger, Ján Moncoľ, Roman Boča, Cyril Rajnák^*

^*Corresponding author for this work

Institute of Organic Chemistry

Research output: Contribution to journal › Article › Research › peer review

Abstract

Two novel dinuclear complexes [Zn^II(MeOH)(L¹)Ce^III(NO₃)₃] (1) and [Cu^II(MeOH)(HL²)Ce^III(MeOH)(NO₃)₃] (2) {where L¹ = 6,6´-((1E, 1´E)-((4,5-dimethyl-1,2-phenylene)bis(azanylylidene))bis(methanylylidene))bis(4-allyl-2-methoxyphenol); HL² = 6,6´-((1E, 1´E)-((2-hydroxypropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-methoxyphenol)} have been synthesized. The complexes were characterized by spectroscopic methods, magnetochemistry, and Hirshfeld surface analysis, and their structures were determined by single-crystal X-ray diffractometry. Complex 1 has been identified as a magnetically mononuclear asymmetric Ce(III) complex with an axial crystal-field splitting parameter Δ_ax = 53 cm⁻¹. In complex 2, a small antiferromagnetic coupling J = –0.76 cm⁻¹, between two nearest-neighbor spins has been revealed. The complexes were investigated by ab initio calculations to identify the main magnetic axes and magnetization blocking barriers associated with the 4f ion.

Original language	English
Article number	144535
Journal	Journal of molecular structure
Volume	1352
E-pub ahead of print	26 Oct 2025
DOIs	https://doi.org/10.1016/j.molstruc.2025.144535
Publication status	Published - 15 Feb 2026

Keywords

Ab initio calculations
Ce(III) complexes
Magnetic susceptibility
Magnetization
X-ray crystal structure determination

ASJC Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

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10.1016/j.molstruc.2025.144535

Cite this

@article{4f2280b811134c6a842bd899177322e5,

title = "Synthesis and characterization of dinuclear {Ce(III)-Zn(II)} and {Ce(III)-Cu(II)} complexes stabilized by μ2-phenolato bridges",

abstract = "Two novel dinuclear complexes [ZnII(MeOH)(L1)CeIII(NO3)3] (1) and [CuII(MeOH)(HL2)CeIII(MeOH)(NO3)3] (2) {where L1 = 6,6´-((1E, 1´E)-((4,5-dimethyl-1,2-phenylene)bis(azanylylidene))bis(methanylylidene))bis(4-allyl-2-methoxyphenol); HL2 = 6,6´-((1E, 1´E)-((2-hydroxypropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-methoxyphenol)} have been synthesized. The complexes were characterized by spectroscopic methods, magnetochemistry, and Hirshfeld surface analysis, and their structures were determined by single-crystal X-ray diffractometry. Complex 1 has been identified as a magnetically mononuclear asymmetric Ce(III) complex with an axial crystal-field splitting parameter Δax = 53 cm−1. In complex 2, a small antiferromagnetic coupling J = –0.76 cm−1, between two nearest-neighbor spins has been revealed. The complexes were investigated by ab initio calculations to identify the main magnetic axes and magnetization blocking barriers associated with the 4f ion.",

keywords = "Ab initio calculations, Ce(III) complexes, Magnetic susceptibility, Magnetization, X-ray crystal structure determination",

author = "Zuzana Bielkov{\'a} and Dominika Kendrov{\'a} and J{\'a}n Titi{\v s} and Erika Samo{\v I}ov{\'a} and Ond{\v r}ej Malina and Gerald Dr{\"a}ger and J{\'a}n Monco{\v I} and Roman Bo{\v c}a and Cyril Rajn{\'a}k",

note = "Publisher Copyright: {\textcopyright} 2025",

year = "2026",

month = feb,

day = "15",

doi = "10.1016/j.molstruc.2025.144535",

language = "English",

volume = "1352",

journal = "Journal of molecular structure",

issn = "0022-2860",

publisher = "Elsevier",

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TY - JOUR

T1 - Synthesis and characterization of dinuclear {Ce(III)-Zn(II)} and {Ce(III)-Cu(II)} complexes stabilized by μ2-phenolato bridges

AU - Bielková, Zuzana

AU - Kendrová, Dominika

AU - Titiš, Ján

AU - Samoľová, Erika

AU - Malina, Ondřej

AU - Dräger, Gerald

AU - Moncoľ, Ján

AU - Boča, Roman

AU - Rajnák, Cyril

PY - 2026/2/15

Y1 - 2026/2/15

N2 - Two novel dinuclear complexes [ZnII(MeOH)(L1)CeIII(NO3)3] (1) and [CuII(MeOH)(HL2)CeIII(MeOH)(NO3)3] (2) {where L1 = 6,6´-((1E, 1´E)-((4,5-dimethyl-1,2-phenylene)bis(azanylylidene))bis(methanylylidene))bis(4-allyl-2-methoxyphenol); HL2 = 6,6´-((1E, 1´E)-((2-hydroxypropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-methoxyphenol)} have been synthesized. The complexes were characterized by spectroscopic methods, magnetochemistry, and Hirshfeld surface analysis, and their structures were determined by single-crystal X-ray diffractometry. Complex 1 has been identified as a magnetically mononuclear asymmetric Ce(III) complex with an axial crystal-field splitting parameter Δax = 53 cm−1. In complex 2, a small antiferromagnetic coupling J = –0.76 cm−1, between two nearest-neighbor spins has been revealed. The complexes were investigated by ab initio calculations to identify the main magnetic axes and magnetization blocking barriers associated with the 4f ion.

AB - Two novel dinuclear complexes [ZnII(MeOH)(L1)CeIII(NO3)3] (1) and [CuII(MeOH)(HL2)CeIII(MeOH)(NO3)3] (2) {where L1 = 6,6´-((1E, 1´E)-((4,5-dimethyl-1,2-phenylene)bis(azanylylidene))bis(methanylylidene))bis(4-allyl-2-methoxyphenol); HL2 = 6,6´-((1E, 1´E)-((2-hydroxypropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-methoxyphenol)} have been synthesized. The complexes were characterized by spectroscopic methods, magnetochemistry, and Hirshfeld surface analysis, and their structures were determined by single-crystal X-ray diffractometry. Complex 1 has been identified as a magnetically mononuclear asymmetric Ce(III) complex with an axial crystal-field splitting parameter Δax = 53 cm−1. In complex 2, a small antiferromagnetic coupling J = –0.76 cm−1, between two nearest-neighbor spins has been revealed. The complexes were investigated by ab initio calculations to identify the main magnetic axes and magnetization blocking barriers associated with the 4f ion.

KW - Ab initio calculations

KW - Ce(III) complexes

KW - Magnetic susceptibility

KW - Magnetization

KW - X-ray crystal structure determination

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DO - 10.1016/j.molstruc.2025.144535

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JO - Journal of molecular structure

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