Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
Polychlorinated trityl radicals for dynamic nuclear polarization: the role of chlorine nuclei
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DOI：
10.1039/c003291n
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发表时间：
2010-01-01
影响因子：
3.3
通讯作者：
Pons, Miquel
中科院分区：
文献类型：
--
作者：
Carlos Paniagua, Juan;Mugnaini, Veronica;Pons, Miquel
带有羧酸根取代基的多氯三苯甲基自由基是可用于动态核极化的水溶性持久自由基。与其他三苯甲基自由基相比，极化机制不同于经典的固体效应。DFT计算进行合理化，这种行为支持的假设，即极化是从未成对电子转移到氯原子核，并从这些到碳的自旋扩散。中性和阴离子形式的自由基之间观察到的显着差异将进行讨论。
Polychlorinated trityl radicals bearing carboxylate substituents are water soluble persistent radicals that can be used for dynamic nuclear polarization. In contrast to other trityl radicals, the polarization mechanism differs from the classical solid effect. DFT calculations performed to rationalize this behaviour support the hypothesis that polarization is transferred from the unpaired electron to chlorine nuclei and from these to carbon by spin diffusion. The marked differences observed between neutral and anionic forms of the radical will be discussed.