A Low Spin Manganese(IV) Nitride Single Molecule Magnet.
A Low Spin Manganese(IV) Nitride Single Molecule Magnet.
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DOI：
10.1039/c6sc01469k
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发表时间：
2016-09-01
期刊：
影响因子：
8.4
通讯作者：
Smith JM
中科院分区：
文献类型：
--
作者：
Ding M;Cutsail GE 3rd;Aravena D;Amoza M;Rouzières M;Dechambenoit P;Losovyj Y;Pink M;Ruiz E;Clérac R;Smith JM
用结构、光谱和磁学方法表征了三(卡宾)硼酸盐化合物PhB(MesIm)3MnN为具有低自旋(S=1/2)构型的四配位锰(IV)配合物。用结构、光谱和磁学方法表征了三(卡宾)硼酸盐化合物PhB(MesIm)3MnN为具有低自旋(S=1/2)构型的四配位锰(IV)配合物。在外加直流磁场的作用下，揭示了该复合体的磁化强度的缓慢弛豫，即其单分子磁体(SMM)性质。多参考量子力学计算表明，这种SMM行为起源于由自旋-轨道耦合稳定的各向异性基态双态。一致的理论和实验数据表明，该体系的磁化动力学主要由基态量子隧穿控制，而其温度依赖性受拉曼弛豫的影响。
Structural, spectroscopic and magnetic methods have been used to characterize the tris(carbene)borate compound PhB(MesIm)3MnN as a four-coordinate manganese(iv) complex with a low spin (S = 1/2) configuration. Structural, spectroscopic and magnetic methods have been used to characterize the tris(carbene)borate compound PhB(MesIm)3MnN as a four-coordinate manganese(iv) complex with a low spin (S = 1/2) configuration. The slow relaxation of the magnetization in this complex, i.e. its single-molecule magnet (SMM) properties, is revealed under an applied dc field. Multireference quantum mechanical calculations indicate that this SMM behavior originates from an anisotropic ground doublet stabilized by spin–orbit coupling. Consistent theoretical and experiment data show that the resulting magnetization dynamics in this system is dominated by ground state quantum tunneling, while its temperature dependence is influenced by Raman relaxation.