STRUCTURAL CHARACTERIZATION OF A NOVEL LOW-SPIN ALKYLPEROXO-IRON(III) COMPLEX

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 Goldberg和他的同事最近制备了一种新的低自旋非血红素过氧络合物(Krishnamurthy等人，在出版中)。该络合物的振动光谱证实了铁结合的过氧化氢的存在，具有异常弱的Fe-O和O-O键，而紫外可见光谱表明，Fe的氧化态最好描述为Fe(III)。这些测量不能定义铁的连接。为了确定该络合物的结构，从而建立了解其作为生物无机位点模拟物的作用，我们需要确定一个悬挂的硫代配体是否仍然与铁配位。我们将使用EXAFS来定义此结构。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Goldberg an co-workers have recently prepared a novel low-spin non-heme peroxo complex(Krishnamurthy et al., in press). Vibrational spectra for the complex confirm the presence of an ironbound peroxide with unusually weak Fe-O and O-O bonsd, and UV-visible spectra suggest that the Fe oxidation state is best described as Fe(III). These measurements are unable to define the Fe ligation. In order to define the structure of the complex, and thus establish the understand its role as a mimic for bioinorganic sites, we need to determine whether a pendant thiolate ligand remains coordinated to the Fe. We will use EXAFS to define this structure.