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- W4293493562 abstract "The novel LnIII {Ln = Dy (1-Dy), Gd (2-Gd), and La (3-La)} benzimidazolium tricarboxylate coordination polymers have been synthesized, and their magnetic properties have been investigated. Single-crystal X-ray analysis revealed that 1-Dy, 2-Gd, and 3-La are one-dimensional coordination polymers with general molecular formulas of {[Ln(L)2(H2O)4]·(6Br)}∞ [L = 3,3′,3′′-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1-(carboxymethyl)-benzimidazolium)], which crystallized in the monoclinic, P21/c space group. The solid-state packing of these coordination polymers shows the spiral propagation in a one-dimensional direction. The direct current (dc) magnetic data (susceptibility and magnetization) were collected for 1-Dy and 2-Gd. The alternating current (ac) magnetic measurement for 1-Dy at zero field shows the characteristic signature of single-molecule magnets (SMMs) at low temperatures but without clear maxima. Further, to rationalize the experimentally observed magnetic behavior and to understand the factors affecting the dynamic magnetic behavior of 1-Dy, we performed detailed completed active space self-consistent field (CASSCF) based calculations on 1-Dy. Our detailed theoretical analysis suggests that the hydrogen bonding interaction between the coordinated water molecule and the Br– counteranion increases the equatorial electron density, eradicating the slow relaxation in 1-Dy." @default.
- W4293493562 created "2022-08-29" @default.
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- W4293493562 date "2022-08-29" @default.
- W4293493562 modified "2023-10-13" @default.
- W4293493562 title "Ln<sup>III</sup> (Ln = La, Gd, and Dy) Benzimidazolium Tricarboxylate Coordination Polymers with Hydrogen Bonding Modulated Magnetic Relaxation" @default.
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- W4293493562 doi "https://doi.org/10.1021/acs.cgd.2c00674" @default.
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