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

N1 - Publisher Copyright: © 2025

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

UR - http://www.scopus.com/inward/record.url?scp=105020378850&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2025.144535

DO - 10.1016/j.molstruc.2025.144535

M3 - Article

AN - SCOPUS:105020378850

VL - 1352

JO - Journal of molecular structure

JF - Journal of molecular structure

SN - 0022-2860

M1 - 144535

ER -