Low-spin 1,1′-diphosphametallocenates of chromium and iron
Low-spin 1,1′-diphosphametallocenates of chromium and iron
复制标题
铬和铁的低自旋 1,1‐二磷茂金属盐
DOI：
10.1039/d0cc06518h
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发表时间：
2021
影响因子：
4.9
通讯作者：
Goodwin, Conrad A.
中科院分区：
文献类型：
--
作者：
Greer, Samuel M.;Üngor, Ökten;Beattie, Ross J.;Kiplinger, Jaqueline L.;Scott, Brian L.;Stein, Benjamin W.;Goodwin, Conrad A.
本文报道了两种阴离子双磷金属茂配合物[K（2.2.2-crypt）][M（PC_4Me_4）_2]（M = Cr，2-Cr; Fe，2-Fe）。两者都是低自旋（S = 1/2）的EPR光谱和SQUID磁力测定。这与高自旋（S =）二茂铁酸盐[K（2.2.2-crypt）][Fe（C5 H2 - 1，2，4-tBu）2]（4-Fe）形成对比。量子化学计算表明，这是由于d-轨道的配位场分裂的显着差异，这也解释了2-M络合物的结构特征。
We report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC4Me4)2] (M = Cr, 2-Cr; Fe, 2-Fe). Both are low-spin (S = ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (S = ) ferrocenate, [K(2.2.2-crypt)][Fe(C5H2-1,2,4-tBu)2] (4-Fe). Quantum chemical calculations suggest this is due to significant differences in ligand field splitting of the d-orbitals which also explain structural features in the 2-M complexes.