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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：化工学院院长、党委副书记
性别：男
毕业院校：北京大学
学位：博士
所在单位：化工学院
学科：无机化学. 应用化学. 精细化工
办公地点：大连理工大学西部校区F208
联系方式：0411-84986296 liutao@dlut.edu.cn https://liutao.dlut.edu.cn/
电子邮箱：liutao@dlut.edu.cn
Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core
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论文类型：期刊论文
发表时间：2015-10-01
发表刊物：CHEMICAL SCIENCE
收录刊物：SCIE、EI、PubMed、Scopus
卷号：6
期号：10
页面范围：5947-5954
ISSN号：2041-6520
摘要：With the coordination geometry of Dy-III being relatively fixed, oxygen and sulfur atoms were used to replace one porphyrin pyrrole nitrogen atom of sandwich complex [(Bu)(4)N][Dy-III(Pc)(TBPP)] [Pc = dianion of phthalocyanine, TBPP = 5,10,15,20-tetrakis[(4-tert-butyl) phenyl] porphyrin]. The energy barrier of the compounds was enhanced three times, with the order of Dy-III(Pc)(STBPP) > Dy-III(Pc)(OTBPP) > [(Bu)(4)N][Dy-III(Pc)(TBPP)] [STBPP = monoanion of 5,10,15,20-(4-tert-butyl) phenyl-21-thiaporphyrin, OTBPP = monoanion of 5,10,15,20-(4-tert-butyl)phenyl-21-oxaporphyrin]. Theoretical calculations offer reasonable explanations of such a significant enhancement. The energy barrier of 194 K for DyIII(Pc)(STBPP) represents the highest one among all the bis(tetrapyrrole) dysprosium SMMs, providing a strategy to rationally enhance the anisotropy and energy barrier via atom replacement.