Canaj Angelos B, Singh Mukesh Kumar, Regincós Marti Emma, Damjanović Marko, Wilson Claire, Céspedes Oscar, Wernsdorfer Wolfgang, Rajaraman Gopalan, Murrie Mark
WestCHEM, School of Chemistry, University of Glasgow, University Avenue, Glasgow, G12 8QQ, UK.
Chem Commun (Camb). 2019 May 21;55(42):5950-5953. doi: 10.1039/c9cc00965e.
A new nine-coordinate, air-stable Dy(iii) single-ion magnet has been successfully isolated. Our in silico studies demonstrate that through carefully modulating the ligand electronics, the axiality can be boosted to generate Ucal barriers of over 600 K.
一种新型的九配位、空气稳定的Dy(iii)单离子磁体已成功分离出来。我们的计算机模拟研究表明，通过仔细调节配体电子结构，可以提高轴向性，以产生超过600 K的Ucal势垒。
