Institut für Anorganische Chemie, Georg-August-Universität, Tammannstrasse 4, 37077 Göttingen, Germany.
Inorg Chem. 2010 Jul 5;49(13):5853-8. doi: 10.1021/ic902559n.
A unique [2Fe-2S] cluster (1) with genuinely five-coordinate ferric ions has been synthesized and investigated both structurally and spectroscopically. The crystal structure of 1 as well as (1)H NMR data reveal that 2,6-bis(imidazol-2-yl)pyridine binds to the [2Fe-2S] core as a tridentate capping ligand. DFT calculations showing spin density on all coordinating atoms support this finding. Cluster 1 has also been characterized by Mössbauer and UV/vis spectroscopy, mass spectrometry, cyclic voltammetry, and magnetic susceptibility measurements. Significant spectroscopic properties that make 1 distinct from conventional [2Fe-2S] clusters include a rather small quadrupole splitting of 0.43 mm/s.
已经合成并通过结构和光谱学研究了一种独特的具有真正五配位三价铁离子的[2Fe-2S]簇合物（1）。1 的晶体结构和（1）H NMR 数据表明，2,6-双（咪唑-2-基）吡啶作为三齿封端配体与[2Fe-2S]核结合。DFT 计算表明所有配位原子上的自旋密度支持这一发现。簇合物 1 还通过穆斯堡尔和紫外/可见光谱、质谱、循环伏安法和磁化率测量进行了表征。使 1 有别于传统[2Fe-2S]簇合物的显著光谱特性包括相当小的 0.43mm/s 的四极分裂。
