A detailed study of the magnetism of chiral {Cr7M} rings: an investigation into parametrization and transferability of parameters.
A detailed study of the magnetism of chiral {Cr7M} rings: an investigation into parametrization and transferability of parameters.
复制标题
手性 {Cr7M} 环磁性的详细研究：参数化和参数可传递性的研究。
DOI：
10.1021/ja5047445
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发表时间：
2014
影响因子：
15
通讯作者：
Garlatti E
中科院分区：
文献类型：
--
作者：
Garlatti E
合成了通式为[Cr_7 MF_3（Etglu）（O_2CtBu）_（15）（Phpy）] [H_5Etglu = N-乙基-d-葡糖胺; Phpy = 4-苯基吡啶; M = Zn（1），Mn（2），Ni（3）]的化合物。该结构包含一个不规则的八角形的金属网站周围的五去质子化的Etglu 5-配体形成的，手性的N-乙基-D-葡糖胺保留在最终产品。七个CrIIIsites有一系列的协调环境，和二价金属网站的晶体学鉴定，并有一个Phpy配体连接到it. By使用互补的实验技术，包括磁化和比热测量，非弹性中子散射，和电子顺磁共振光谱，我们已经调查了这个家庭的{Cr 7 M}环的磁性特征。的自旋哈密顿量的微观参数已被确定为最佳拟合的不同的实验数据的结果，允许直接比较与相应的参数中发现的母体化合物。我们研究这些参数是否可以在化合物之间转移，并将它们与早期的异金属环家族进行比较。
Compounds of general formula [Cr7MF3(Etglu)(O2CtBu)15(Phpy)] [H5Etglu =N-ethyl-d-glucamine; Phpy = 4-phenylpyridine; M = Zn (1), Mn (2), Ni (3)] have been prepared. The structures contain an irregular octagon of metal sites formed around the penta-deprotonated Etglu5–ligand; the chirality ofN-ethyl-d-glucamine is retained in the final product. The seven CrIIIsites have a range of coordination environments, and the divalent metal site is crystallographically identified and has a Phpy ligand attached to it. By using complementary experimental techniques, including magnetization and specific heat measurements, inelastic neutron scattering, and electron paramagnetic resonance spectroscopy, we have investigated the magnetic features of this family of {Cr7M} rings. Microscopic parameters of the spin Hamiltonian have been determined as a result of best fits of the different experimental data, allowing a direct comparison with corresponding parameters found in the parent compounds. We examine whether these parameters can be transferred between compounds and compare them with those of an earlier family of heterometallic rings.