Cryo IR Spectroscopy of [Hemin]+ Complexes in Isolation.
Cryo IR Spectroscopy of [Hemin]+ Complexes in Isolation.
复制标题
分离的[血红素]复合物的冷冻红外光谱。
DOI：
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发表时间：
2017
影响因子：
2.9
通讯作者：
G. Niedner‐Schatteburg
中科院分区：
文献类型：
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作者：
Sebastian Dillinger;J. Lang;G. Niedner‐Schatteburg
本文报道了[Hemin]+与CO、N2和O2的加合物（[Hemin（CO）1]+、[Hemin（CO）2]+、[Hemin（14 N2）]+、[Hemin（15 N2）]+和[Hemin（O2）]+）的低温红外光谱。分辨良好的能带可以结合密度泛函（DFT）计算来阐明结构和自旋多重性。N2和CO加合物存在四重态自旋，O2加合物存在六重态自旋，其中O2保持其三重态。双CO吸附诱导的红外光谱的振动模式的显着变化，这是我们作为一个强有力的证据，自旋淬灭成一对。我们的研究表征[Hemin]+，这是血红素的Fe 3+氧化产物，在血红素蛋白中普遍存在。
We present cryo IR spectra of isolated [Hemin]+ adducts with CO, N2, and O2 ([Hemin(CO)1]+, [Hemin(CO)2]+, [Hemin(14N2)]+, [Hemin(15N2)]+, and [Hemin(O2)]+). Well resolved bands allow for the elucidation of structure and spin multiplicity in conjunction with density functional (DFT) calculations. There is a quartet spin state for the N2 and CO adducts and a sextet spin state for the O2 adduct, where the O2 retains its triplet state. The double CO adsorption induces significant changes in the vibrational patterns of the IR spectra, which we take as strong evidence for a spin quenching into a doublet. Our study characterizes [Hemin]+, which is the Fe3+ oxidation product of heme that is of ubiquitous presence in hemeproteins.
影响因子：
62.1
作者：
Poulos, Thomas L.
通讯作者：
Poulos, Thomas L.