The first attempt to determine experimentally based structures of paramagnetic centers in graphite oxide is presented. The attribution of satellite signals in electron paramagnetic resonance (EPR) spectra to forbidden transitions was proved by X- and Q-band experiments. Proton responsible for satellite lines is found to be able to undergo rapid isotopic exchange. Magnetic parameters of the paramagnetic centers were determined by numerical simulation of experimental EPR spectra. Density functional theory (DFT) was used for theoretical calculation of magnetic parameters for probable paramagnetic moieties. The comparison of DFT results with experimental values reveals the structures of oxygen-centered paramagnetic species in graphite oxide.

提出了尝试确定基于实验的氧化石墨中顺磁中心结构的首次尝试。X波段和Q波段实验证明了电子顺磁共振（EPR）光谱中卫星信号的归因于禁区跃迁。发现负责卫星线路的质子能够进行快速同位素交换。通过实验EPR谱的数值模拟确定了顺磁中心的磁参数。密度泛函理论（DFT）用于理论计算可能的顺磁部分的磁参数。DFT结果与实验值的比较揭示了氧化石墨中以氧为中心的顺磁性物质的结构。