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New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets
Dalton Transactions ( IF 3.5 ) Pub Date : 2024-05-08 , DOI: 10.1039/d4dt00848k Ànnia Tubau 1 , Silvia Gómez-Coca 1, 2 , Saskia Speed 1 , Mercè Font-Bardía 3 , Ramon Vicente 1
Dalton Transactions ( IF 3.5 ) Pub Date : 2024-05-08 , DOI: 10.1039/d4dt00848k Ànnia Tubau 1 , Silvia Gómez-Coca 1, 2 , Saskia Speed 1 , Mercè Font-Bardía 3 , Ramon Vicente 1
Affiliation
Five new β-diketonate Ce3+ mononuclear complexes, [Ce(Btfa)3(H2O)2] (1), [Ce(Btfa)3(phen)] (2), [Ce(Btfa)3(bipy)] (3), [Ce(Btfa)3(terpy)] (4) and [Ce(Btfa)3(bathophen)(DMF)] (5), where Btfa− = 4,4,4-trifluoro-1-phenyl-1,3-butanedionate, phen = 1,10-phenanthroline, bipy = 2,2′-bipyridyl, terpy = 2,2′:6′,2′′-terpyridine and bathophen = 4,7-diphenyl-1,10-phenanthroline, have been synthesized and structurally characterized through X-ray diffraction of single crystals. The central Ce3+ atom displays a coordination number of 8 for 1, 2 and 3 and of 9 for 4 and 5. Under a 0 T external magnetic field, none of the given compounds exhibits single molecule magnet (SMM) behaviour. However, a small magnetic field, between 0.02 and 0.1 T, is enough for all the compounds to exhibit slow relaxation of the magnetization. A comprehensive magnetic analysis, with experimental magnetic data and ab initio calculations, was undertaken for all the complexes, and the study highlights the significance of the different spin relaxation mechanisms that must be considered for a Ce3+ lanthanide ion.
中文翻译:
新系列单核β-二酮酸铈(III)场致单分子磁体
五个新的β-二酮Ce 3+单核配合物,[Ce(Btfa) 3 (H 2 O) 2 ] ( 1 )、[Ce(Btfa) 3 (phen)] ( 2 )、[Ce(Btfa) 3 (bipy) )] ( 3 )、[Ce(Btfa) 3 (terpy)] ( 4 ) 和 [Ce(Btfa) 3 (bathophen)(DMF)] ( 5 ),其中 Btfa − = 4,4,4-三氟-1 -1,3-丁二酸苯基酯、phen = 1,10-菲咯啉、bipy = 2,2′-联吡啶、terpy = 2,2′:6′,2′′-三联吡啶和 Bathophen = 4,7-二苯基- 1,10-菲咯啉已被合成并通过单晶的 X 射线衍射进行结构表征。中心Ce 3+原子的1、2和3的配位数为8,4和5的配位数为9 。在 0 T 外部磁场下,所有给定化合物均不表现出单分子磁体 (SMM) 行为。然而,0.02 至 0.1 T 之间的小磁场足以使所有化合物表现出磁化强度的缓慢弛豫。对所有配合物进行了全面的磁分析,包括实验磁数据和从头计算,该研究强调了 Ce 3+镧系离子必须考虑的不同自旋弛豫机制的重要性。
更新日期:2024-05-08
中文翻译:
新系列单核β-二酮酸铈(III)场致单分子磁体
五个新的β-二酮Ce 3+单核配合物,[Ce(Btfa) 3 (H 2 O) 2 ] ( 1 )、[Ce(Btfa) 3 (phen)] ( 2 )、[Ce(Btfa) 3 (bipy) )] ( 3 )、[Ce(Btfa) 3 (terpy)] ( 4 ) 和 [Ce(Btfa) 3 (bathophen)(DMF)] ( 5 ),其中 Btfa − = 4,4,4-三氟-1 -1,3-丁二酸苯基酯、phen = 1,10-菲咯啉、bipy = 2,2′-联吡啶、terpy = 2,2′:6′,2′′-三联吡啶和 Bathophen = 4,7-二苯基- 1,10-菲咯啉已被合成并通过单晶的 X 射线衍射进行结构表征。中心Ce 3+原子的1、2和3的配位数为8,4和5的配位数为9 。在 0 T 外部磁场下,所有给定化合物均不表现出单分子磁体 (SMM) 行为。然而,0.02 至 0.1 T 之间的小磁场足以使所有化合物表现出磁化强度的缓慢弛豫。对所有配合物进行了全面的磁分析,包括实验磁数据和从头计算,该研究强调了 Ce 3+镧系离子必须考虑的不同自旋弛豫机制的重要性。