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的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 Goldberg及其同事最近制备了一种新的低自旋非血红素过氧复合物（Krishnamurthy等人，出版中）。复合物的振动光谱证实存在铁结合的过氧化物与异常弱的Fe-O和O-O键，紫外-可见光谱表明，Fe的氧化态是最好的描述为Fe（III）。这些测量不能定义Fe连接。为了定义复合物的结构，从而建立理解其作为生物无机位点的模拟物的作用，我们需要确定悬垂硫醇盐配体是否保持与Fe配位。我们将使用EXAFS来定义这个结构。

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.