Soumalya Roy, Botan Li, Ezhava Manu Manohar, Himanshu Sharma, Bipul Sarma, Lin Sun, Naushad Ahmed, Atanu Dey, Junseong Lee, Sourav Das
{"title":"具有拟五边形双锥体的氧化膦配位单核LnIII（Ln = DyIII, ErIII）单离子磁铁。","authors":"Soumalya Roy, Botan Li, Ezhava Manu Manohar, Himanshu Sharma, Bipul Sarma, Lin Sun, Naushad Ahmed, Atanu Dey, Junseong Lee, Sourav Das","doi":"10.1002/cplu.202500339","DOIUrl":null,"url":null,"abstract":"<p>Two mononuclear lanthanide complexes, [(L)Ln<sup>III</sup>(Ph<sub>3</sub>PO)Cl]·CH<sub>3</sub>OH] [Ln<sup>III</sup> = Dy (<b>1</b>) and Er(<b>2</b>)], are isolated employing a pyridine-based ligand, [2,2′-{(1<i>E</i>, 1′<i>E</i>)-pyridine 2,6–diylbis(methaneylylidine}bis(azaneylylidine)diphenol] (H<sub>2</sub>L) and triphenylphosphine oxide. Both complexes are characterized by single-crystal X-ray diffraction studies. Pseudo-pentagonal bipyramidal geometry (pseudo-<i>D</i><sub>5h</sub>) around the lanthanide centers in both complexes is confirmed through SHAPE analysis. Dynamic magnetic measurements revealed the single-ion magnet behavior for both complexes. However, the energy barrier (<i>U</i><sub>eff</sub>) and relaxation time (<i>τ</i><sub>0</sub>) for complex <b>1</b>are extracted as <i>U</i><sub>eff</sub> = 34.77 K, <i>τ</i><sub>0</sub> = 8.07 × 10<sup>−7</sup> s (considering both Orbach and Raman processes). These observed phenomena have been corroborated with the aid of CASSCF-based ab initio calculations.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"90 10","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phosphine Oxide Coordinated Mononuclear LnIII(Ln = DyIII, ErIII) Single-Ion Magnet with Pseudo-Pentagonal Bipyramidal Geometry\",\"authors\":\"Soumalya Roy, Botan Li, Ezhava Manu Manohar, Himanshu Sharma, Bipul Sarma, Lin Sun, Naushad Ahmed, Atanu Dey, Junseong Lee, Sourav Das\",\"doi\":\"10.1002/cplu.202500339\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Two mononuclear lanthanide complexes, [(L)Ln<sup>III</sup>(Ph<sub>3</sub>PO)Cl]·CH<sub>3</sub>OH] [Ln<sup>III</sup> = Dy (<b>1</b>) and Er(<b>2</b>)], are isolated employing a pyridine-based ligand, [2,2′-{(1<i>E</i>, 1′<i>E</i>)-pyridine 2,6–diylbis(methaneylylidine}bis(azaneylylidine)diphenol] (H<sub>2</sub>L) and triphenylphosphine oxide. Both complexes are characterized by single-crystal X-ray diffraction studies. Pseudo-pentagonal bipyramidal geometry (pseudo-<i>D</i><sub>5h</sub>) around the lanthanide centers in both complexes is confirmed through SHAPE analysis. Dynamic magnetic measurements revealed the single-ion magnet behavior for both complexes. However, the energy barrier (<i>U</i><sub>eff</sub>) and relaxation time (<i>τ</i><sub>0</sub>) for complex <b>1</b>are extracted as <i>U</i><sub>eff</sub> = 34.77 K, <i>τ</i><sub>0</sub> = 8.07 × 10<sup>−7</sup> s (considering both Orbach and Raman processes). These observed phenomena have been corroborated with the aid of CASSCF-based ab initio calculations.</p>\",\"PeriodicalId\":148,\"journal\":{\"name\":\"ChemPlusChem\",\"volume\":\"90 10\",\"pages\":\"\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2025-08-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ChemPlusChem\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202500339\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemPlusChem","FirstCategoryId":"92","ListUrlMain":"https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202500339","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Two mononuclear lanthanide complexes, [(L)LnIII(Ph3PO)Cl]·CH3OH] [LnIII = Dy (1) and Er(2)], are isolated employing a pyridine-based ligand, [2,2′-{(1E, 1′E)-pyridine 2,6–diylbis(methaneylylidine}bis(azaneylylidine)diphenol] (H2L) and triphenylphosphine oxide. Both complexes are characterized by single-crystal X-ray diffraction studies. Pseudo-pentagonal bipyramidal geometry (pseudo-D5h) around the lanthanide centers in both complexes is confirmed through SHAPE analysis. Dynamic magnetic measurements revealed the single-ion magnet behavior for both complexes. However, the energy barrier (Ueff) and relaxation time (τ0) for complex 1are extracted as Ueff = 34.77 K, τ0 = 8.07 × 10−7 s (considering both Orbach and Raman processes). These observed phenomena have been corroborated with the aid of CASSCF-based ab initio calculations.
期刊介绍：
ChemPlusChem is a peer-reviewed, general chemistry journal that brings readers the very best in multidisciplinary research centering on chemistry. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies.
Fully comprehensive in its scope, ChemPlusChem publishes articles covering new results from at least two different aspects (subfields) of chemistry or one of chemistry and one of another scientific discipline (one chemistry topic plus another one, hence the title ChemPlusChem). All suitable submissions undergo balanced peer review by experts in the field to ensure the highest quality, originality, relevance, significance, and validity.
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