{"title":"四核镧系元素（镨、钕）羟基团簇与官能化β-二酮的自组装：实验和理论研究","authors":"Ananda Kumar Jami , Pilli V.V.N. Kishore , Venkatesan Srinivasadesikan , Bharat Kumar Tripuramallu , Maddina Sreenivasa Rao","doi":"10.1016/j.poly.2024.117306","DOIUrl":null,"url":null,"abstract":"<div><div>Reaction of LnCl<sub>3</sub>·6H<sub>2</sub>O (Ln = Pr, Nd) with functionalized β-Diketone {<em>ortho</em>-hydroxydibenzoylmethane (HO-DBM)} in 1:2 ratio in methanol and in presence of triethylamine (excess) as base yielded two tetra nuclear lanthanide hydroxo clusters of composition [Ln<sub>4</sub>(O-DBM)<sub>4</sub>(HO-DBM)<sub>4</sub>(µ<sub>3</sub>-OH)<sub>2</sub>][Et<sub>3</sub>NH]<sub>2</sub><strong>.</strong>3CH<sub>2</sub>Cl<sub>2</sub>, (Ln = Pr (<strong>1</strong>), Nd (<strong>2</strong>)). The clusters <strong>1</strong> and <strong>2</strong> has been structurally characterized by single crystal X-ray diffraction. A one-dimensional supramolecular chain is observed in the solid state structure (<strong>2</strong>), where dichloromethane solvent molecules are linked to the phenyl rings of adjacent diketone linkers through C<img>H⋯π and Cl⋯π interactions. Theoretical studies support the stability of structure (2), with calculated geometric parameters aligning with experimental findings.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"266 ","pages":"Article 117306"},"PeriodicalIF":2.4000,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Self-assembly of tetra nuclear lanthanide (Pr, Nd) hydroxo clusters with functionalized β-diketone: Experimental and theoretical studies\",\"authors\":\"Ananda Kumar Jami , Pilli V.V.N. Kishore , Venkatesan Srinivasadesikan , Bharat Kumar Tripuramallu , Maddina Sreenivasa Rao\",\"doi\":\"10.1016/j.poly.2024.117306\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Reaction of LnCl<sub>3</sub>·6H<sub>2</sub>O (Ln = Pr, Nd) with functionalized β-Diketone {<em>ortho</em>-hydroxydibenzoylmethane (HO-DBM)} in 1:2 ratio in methanol and in presence of triethylamine (excess) as base yielded two tetra nuclear lanthanide hydroxo clusters of composition [Ln<sub>4</sub>(O-DBM)<sub>4</sub>(HO-DBM)<sub>4</sub>(µ<sub>3</sub>-OH)<sub>2</sub>][Et<sub>3</sub>NH]<sub>2</sub><strong>.</strong>3CH<sub>2</sub>Cl<sub>2</sub>, (Ln = Pr (<strong>1</strong>), Nd (<strong>2</strong>)). The clusters <strong>1</strong> and <strong>2</strong> has been structurally characterized by single crystal X-ray diffraction. A one-dimensional supramolecular chain is observed in the solid state structure (<strong>2</strong>), where dichloromethane solvent molecules are linked to the phenyl rings of adjacent diketone linkers through C<img>H⋯π and Cl⋯π interactions. Theoretical studies support the stability of structure (2), with calculated geometric parameters aligning with experimental findings.</div></div>\",\"PeriodicalId\":20278,\"journal\":{\"name\":\"Polyhedron\",\"volume\":\"266 \",\"pages\":\"Article 117306\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-11-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Polyhedron\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0277538724004820\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polyhedron","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0277538724004820","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Self-assembly of tetra nuclear lanthanide (Pr, Nd) hydroxo clusters with functionalized β-diketone: Experimental and theoretical studies
Reaction of LnCl3·6H2O (Ln = Pr, Nd) with functionalized β-Diketone {ortho-hydroxydibenzoylmethane (HO-DBM)} in 1:2 ratio in methanol and in presence of triethylamine (excess) as base yielded two tetra nuclear lanthanide hydroxo clusters of composition [Ln4(O-DBM)4(HO-DBM)4(µ3-OH)2][Et3NH]2.3CH2Cl2, (Ln = Pr (1), Nd (2)). The clusters 1 and 2 has been structurally characterized by single crystal X-ray diffraction. A one-dimensional supramolecular chain is observed in the solid state structure (2), where dichloromethane solvent molecules are linked to the phenyl rings of adjacent diketone linkers through CH⋯π and Cl⋯π interactions. Theoretical studies support the stability of structure (2), with calculated geometric parameters aligning with experimental findings.
期刊介绍：
Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry.
Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.
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