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论文类型：期刊论文

发表时间：2014-10-01

发表刊物：INORGANIC CHEMISTRY COMMUNICATIONS

收录刊物：SCIE

卷号：48

页面范围：8-11

ISSN号：1387-7003

关键字：Cyano; Trinuclear; Ferromagnetic; Antiferromagnetic; Cis-trans

摘要：It remains a challenge to control the magnetic properties of molecule-based magnetic materials through chemical modification. Utilizing two tricyanometalate precursors with different steric hindrance, the cis-trans arrangement can be tuned in cyano-bridged {Fe2Cu} trinuclear complexes. The cis trinuclear [Fe-III(Tp)(CN)(3)](2)Cu-II(dpa)(2)center dot 2H(2)O (1) (Tp = hydrotris(pyrazolyl)borate, dpa = 2,2-dipyridylamine) was obtained with tricyanometalate possessing smaller steric hindrance, whereas the trans trinuclear [Fe-III(pzTp)(CN)(3)](2)Cu-II(dpa)(2) (2) (pzTp = tetrakis(pyrazolyl)borate) was obtained using tricyanometalate with larger steric hindrance. The cis and trans arrangement leads to ferromagnetic and antiferromagnetic behaviors, respectively. Density functional theory (DFT) calculations were carried out to further substantiate the magnetic behaviors of both complexes. DFT computations show that the calculated magnetic coupling constant J was in agreement with the experimental results. (C) 2014 Elsevier B.V. All rights reserved.