The structure and electronic state of photoexcited fullerene linked with a nitroxide radical based on an analysis of a two-dimensional electron paramagnetic resonance nutation spectrum
The structure and electronic state of photoexcited fullerene linked with a nitroxide radical based on an analysis of a two-dimensional electron paramagnetic resonance nutation spectrum
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基于二维电子顺磁共振章动谱分析的与硝基氧自由基连接的光激发富勒烯的结构和电子态
DOI：
10.1063/1.479670
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发表时间：
1999
影响因子：
4.4
通讯作者：
S. Yamauchi
中科院分区：
文献类型：
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作者：
N. Mizuochi;Y. Ohba;S. Yamauchi
用电子顺磁共振（EPR）研究了3,4- fulleroperrolidine -2-spiro-4 '[2 ',2 ',6 ',6 ' -四甲基]胡椒啶-1 ' -oxyl(1)在甲苯玻璃中的光激发四重奏态。采用二维章动法对|S，Ms > =|3/2，±3/2 >⇔|3/2，±1/2 >跃迁光谱进行了选择性观测，并在随机取向系统中进行了光谱模拟分析。结合自由基与富勒烯（3C60）之间的偶极-偶极相互作用、超精细耦合、氮氧化物自由基的各向异性g值和3C60部分的zfs，确定了氮氧化物基团相对于激发三重态富勒烯（3C60）零场分裂轴的位置。发现3C60片段的zfs轴与分子的局部C2轴不重合，而C2轴是由加成位置决定的。在此基础上讨论了3C60电子结构的对称性。
An electron paramagnetic resonance (EPR) study of 3,4-fulleropyrrolidine-2-spiro-4′[2′,2′,6′,6′-tetramethyl]piperidine-1′-oxyl (1) was performed on the photoexcited quartet state in toluene glass. The spectrum of the |S,Ms〉=|3/2,±3/2〉⇔|3/2,±1/2〉 transitions was observed selectively by using a two-dimensional (2D) nutation method and analyzed with a spectral simulation in a randomly oriented system. A position of the nitroxide moiety was determined with respect to the zero-field splitting (zfs) axes of excited triplet fullerene (3C60) by taking into account of the dipolar–dipolar interaction between the radical and 3C60, the hyperfine coupling, the anisotropic g-value of the nitroxide radical, and the zfs of the 3C60 moiety. It was found that none of the zfs axes of the 3C60 moiety coincide with the local C2 axis of the molecule which is defined by the position of addition. A symmetry of the electronic structure in 3C60 is discussed on the basis of the result.
Yasunori Ohba：“脉冲 EPR 光谱中微波脉冲相位的精确测量和调整的新技术。”
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