{"title":"六氟乙酰丙酮-钕（III）配合物与溶剂化吡啶通过氢键连接。","authors":"Yang Luo, Xiaofen Li, Yueyun Zou, Yu Wu, Yan Li","doi":"10.1107/S2053229625006047","DOIUrl":null,"url":null,"abstract":"<p><p>The neodymium complex triaquatris(hexafluoroacetylacetonato-κ<sup>2</sup>O,O')neodymium(III) pyridazine trisolvate, [Nd(C<sub>5</sub>HF<sub>6</sub>O<sub>2</sub>)<sub>3</sub>(H<sub>2</sub>O)<sub>3</sub>]·3C<sub>4</sub>H<sub>4</sub>N<sub>2</sub> or [Nd(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>3</sub>]·3pdz (hfac is hexafluoroacetylacetonate and pdz is pyridazine), (I), was synthesized via the reaction of [Nd(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>] 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<sup>III</sup> ion exhibits a nine-coordinated geometry composed of three bidentate hfac<sup>-</sup> 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<sup>-</sup> moiety. The near-IR luminescence spectrum features a dominant emission peak at 1066 nm, which corresponds to the <sup>4</sup>F<sub>3/2</sub>→<sup>4</sup>I<sub>9/2</sub> transition of the Nd<sup>III</sup> ion with a lifetime (τ) of 623.97 ns under excitation at 352 nm. Compared to the precursor [Nd(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>] (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.</p>","PeriodicalId":7115,"journal":{"name":"Acta Crystallographica Section C Structural Chemistry","volume":" ","pages":"474-480"},"PeriodicalIF":0.9000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A hexafluoroacetylacetonate-neodymium(III) complex with solvated pyridazine linked by hydrogen bonds.\",\"authors\":\"Yang Luo, Xiaofen Li, Yueyun Zou, Yu Wu, Yan Li\",\"doi\":\"10.1107/S2053229625006047\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The neodymium complex triaquatris(hexafluoroacetylacetonato-κ<sup>2</sup>O,O')neodymium(III) pyridazine trisolvate, [Nd(C<sub>5</sub>HF<sub>6</sub>O<sub>2</sub>)<sub>3</sub>(H<sub>2</sub>O)<sub>3</sub>]·3C<sub>4</sub>H<sub>4</sub>N<sub>2</sub> or [Nd(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>3</sub>]·3pdz (hfac is hexafluoroacetylacetonate and pdz is pyridazine), (I), was synthesized via the reaction of [Nd(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>] 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<sup>III</sup> ion exhibits a nine-coordinated geometry composed of three bidentate hfac<sup>-</sup> 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<sup>-</sup> moiety. The near-IR luminescence spectrum features a dominant emission peak at 1066 nm, which corresponds to the <sup>4</sup>F<sub>3/2</sub>→<sup>4</sup>I<sub>9/2</sub> transition of the Nd<sup>III</sup> ion with a lifetime (τ) of 623.97 ns under excitation at 352 nm. Compared to the precursor [Nd(hfac)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>] (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.</p>\",\"PeriodicalId\":7115,\"journal\":{\"name\":\"Acta Crystallographica Section C Structural Chemistry\",\"volume\":\" \",\"pages\":\"474-480\"},\"PeriodicalIF\":0.9000,\"publicationDate\":\"2025-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section C Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S2053229625006047\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/7/29 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section C Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2053229625006047","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/7/29 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
A hexafluoroacetylacetonate-neodymium(III) complex with solvated pyridazine linked by hydrogen bonds.
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 NdIII 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 4F3/2→4I9/2 transition of the NdIII 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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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.
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