抗磁性
等结构
磁化
离子
结晶学
放松(心理学)
磁化率
化学
从头算
磁弛豫
从头算量子化学方法
凝聚态物理
材料科学
磁场
分子
物理
晶体结构
心理学
社会心理学
有机化学
量子力学
作者
Alexandros S Armenis,Vikram Vipanchi,Konstantinos N. Pantelis,Luís Cunha‐Silva,Kuduva R. Vignesh,Dimitris I. Alexandropoulos,Theocharis C. Stamatatos
标识
DOI:10.1002/chem.202302337
摘要
The first use of the Schiff base chelate N‐naphthalidene‐o‐aminophenol (naphH2) in Co/Ln chemistry has afforded a family of isostructural [CoIII2LnIII(OMe)2(naph)2(O2CMe)3(MeOH)2] (Ln = Tb, Dy and Er) complexes, revealing a rare {CoIII2Ln(μ3‐OMe)}8+ triangular core composed of two diamagnetic CoIII ions and a 4f‐ion with slightly distorted square antiprismatic geometry. Alternating current (ac) magnetic susceptibility studies revealed that {Co2Dy}, and its magnetic diluted analogue {Co2Dy0.05Y0.95}, behave as mononuclear single‐molecule magnets (SMMs) with similar energy barriers for the magnetization reversal, Ueff, of ~85‐90 K. SMM properties were also detected for {Co2Er}, with the compound exhibiting a Ueff of 18.7 K under an applied magnetic field of 800 Oe. To interpret the experimental magnetic results, ab initio CASSCF/RASSI‐SO and DFT calculations were performed as a means of exploring the single‐ion characteristics of LnIII ions and comprehend the role of the diamagnetic CoIII ions in the magnetization relaxation of the three heterometallic compounds.
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