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Synthesis and Magnetic Properties of (Pyrrolidin‐1‐oxyl)–(Nitronyl Nitroxide)/(Iminonitroxide)‐Dyads
Chemistry - An Asian Journal ( IF 4.1 ) Pub Date : 2018-12-17 , DOI: 10.1002/asia.201801615
Haruki Tsujimoto 1 , Shuichi Suzuki 1, 2 , Masatoshi Kozaki 1 , Daisuke Shiomi 1 , Kazunobu Sato 1 , Takeji Takui 1 , Keiji Okada 1, 3
Affiliation  

Unlike extensively studied diradicals linked by π‐conjugated systems, only a few studies have investigated weakly coupled diradicals linked by an sp3 carbon atom. Herein, we prepared pyrrolidin‐1‐oxyl–(nitronyl nitroxide)‐dyad 5 and pyrrolidin‐1‐oxyl–iminonitroxide‐dyad 6. From the observed temperature dependence of the magnetic susceptibility, 5 and 6 were determined to be in singlet ground states with 2Jintra/kB=−35.2 K and −13.6 K, respectively. From these results and theoretical calculations of related diradicals, the spin‐polarization model counting the small spin density of the sp3 carbon atom could be used as a spin‐prediction model.

中文翻译:

(吡咯烷-1-氧基)-(硝基亚硝基氧)/(亚硝基氧)-染料的合成及磁性

与广泛研究通过π共轭体系连接的双自由基不同,只有少数研究研究了通过sp 3碳原子连接的弱耦合双自由基。在这里,我们制备了吡咯烷-1-氧-(亚硝酰基硝基)-二联体5和吡咯烷-1-氧-亚硝基氧二联体6。根据所观察到的磁化率的温度依赖性,确定56处于单重基态,分别为2 J intra / k B = -35.2 K和-13.6K。从这些结果和相关双基的理论计算中,自旋极化模型计算了sp 3的小自旋密度 碳原子可用作自旋预测模型。
更新日期:2018-12-17
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