Pulsed electron-electron double resonance on multinuclear metal clusters:: Assignment of spin projection factors based on the dipolar interaction
Pulsed electron-electron double resonance on multinuclear metal clusters:: Assignment of spin projection factors based on the dipolar interaction
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DOI：
10.1021/ja027348
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发表时间：
2002-10-23
影响因子：
15
通讯作者：
Bittl, R
中科院分区：
文献类型：
--
作者：
Elsässer, C;Brecht, M;Bittl, R
利用脉冲ELDOR（Electron-Electron DoubleResonance）技术研究了脱硫弧菌（Desulfovibrio vulgaris）宫崎F）氢化酶中两个顺磁性金属中心（[3Fe-4S]（+）簇和[NiFe]中心）之间的相互作用.金属中心之间的距离可以从X射线晶体学中得知。实验的偶极自旋-自旋相互作用偏离了位于金属团簇中心的两个点偶极的预期值。一个扩展的自旋耦合模型解释了[3Fe-4S]（+）团簇中的自旋耦合，在三个Fe离子的特定磁耦合方案的假设下得到了所观察到的相互作用。这些结果表明，脉冲ELDOR可以用来深入了解多核金属簇合物的内部结构。
The interaction between two paramagnetic metal centers, a [3Fe-4S](+) cluster and a [NiFe] center, is investigated in the hydrogenase from Desulfovibrio vulgaris Miyazaki F by pulsed ELDOR (electron-electron double resonance). The distance between the metal centers is known from X-ray crystallography. The experimental dipolar spin-spin interaction deviates from the value expected for two point-dipoles located at the centers of the metal clusters. An extended spin-coupling model accounting for the spin coupling in the [3Fe-4S](+) cluster yields the observed interaction under the assumption of a particular magnetic coupling scheme for the three Fe ions. These results demonstrate that pulsed ELDOR can be used to gain insight into the inner structure of a multinuclear metal cluster.