A hexafluoroacetylacetonate-neodymium(III) complex with solvated pyridazine linked by hydrogen bonds.

IF 0.9 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2025-08-01 Epub Date: 2025-07-29 DOI:10.1107/S2053229625006047

Yang Luo, Xiaofen Li, Yueyun Zou, Yu Wu, Yan Li

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引用次数: 0

Abstract

The neodymium complex triaquatris(hexafluoroacetylacetonato-κ²O,O')neodymium(III) pyridazine trisolvate, [Nd(C₅HF₆O₂)₃(H₂O)₃]·3C₄H₄N₂ or [Nd(hfac)₃(H₂O)₃]·3pdz (hfac is hexafluoroacetylacetonate and pdz is pyridazine), (I), was synthesized via the reaction of [Nd(hfac)₃(H₂O)₂] and pdz, and was characterized by IR spectroscopy and single-crystal X-ray diffraction. The crystal structure reveals that complex (I) crystallizes in the trigonal space group R3c, where the Nd^III ion exhibits a nine-coordinated geometry composed of three bidentate hfac^- ligands and three coordinated water molecules. The UV absorption spectrum displays a strong ligand-centred (LC) absorption band at 302 nm attributed to the π→π* or n→π* transition of the hfac^- moiety. The near-IR luminescence spectrum features a dominant emission peak at 1066 nm, which corresponds to the ⁴F_3/2→⁴I_9/2 transition of the Nd^III ion with a lifetime (τ) of 623.97 ns under excitation at 352 nm. Compared to the precursor [Nd(hfac)₃(H₂O)₂] (τ = 49.70 ns), complex (I) shows a significant increase in luminescence lifetime, which can be attributed to the hydrogen-bonding-induced rigidity that suppresses solvent-induced non-radiative relaxation.

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六氟乙酰丙酮-钕（III）配合物与溶剂化吡啶通过氢键连接。

以[Nd(hfac)3(H2O)2]和pdz为原料，合成了钕（III）吡嗪三溶酸三水合物[Nd(C5HF6O2)3(H2O)3]·3C4H4N2或[Nd(hfac)3(H2O)3]·3pdz （hfac为六氟乙酰丙酮，pdz为吡嗪）(I)，并用红外光谱和单晶x射线衍射对其进行了表征。晶体结构表明配合物(I)在三角空间群R3c中结晶，其中NdIII离子呈现由三个双齿配体和三个配位水分子组成的九配位几何结构。hfac-部分的π→π*或n→π*跃迁在302 nm处形成了一个强的配体中心（LC）吸收带。近红外光谱在1066 nm处有一个主发射峰，对应于352 nm激发下寿命（τ）为623.97 ns的NdIII离子的4F3/2→4I9/2跃迁。与前驱体[Nd(hfac)3(H2O)2] （τ = 49.70 ns）相比，配合物(I)的发光寿命显著增加，这可归因于氢键诱导的刚性抑制了溶剂诱导的非辐射弛豫。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.