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Simulation analysis of ESR spectrum of polymer alkyl-C60 radicals formed by photoinitiated reactions of low-density polyethylene

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Abstract

Polymer alkyl-fullerene (P-C60) radical adducts produced by ultraviolet (UV) photoinitiated reactions between low-density polyethylene (LDPE) and C60 in the presence of benzophenone (BP) as a photoinitiator have been detected and identified for the first time by electron spin resonance (ESR) and confirmed by simulation analysis of the spectrum. A well-resolved ESR spectrum was recorded in situ upon UV irradiation of the LDPE/BP/C60 sample in the molten state (413 K). Detailed analysis of hyperfine structures shows that the observed spectrum is composed of three components: a broad singlet atg = 2.0025 from the C60 radical anion; an innermost pair of13C satellites; and a 12-line spectrum superposed on the broad singlet. The simulation analysis of the spectrum shows that the 12-line spectrum is due to the overlapping of two kinds of radical adducts of tertiary carbon-C60 (A) and secondary carbon-C60 (B), which have slightly differentg-values and almost the same integral intensity IA/IB (48.4/51.6). The spectrum simulated on the basis of the1H and13C hyperfine interaction parameters is in good agreement with the observed spectrum. These results provide positive evidence that the C60-bound LDPE materials can be obtained directly by a simple method of BP-photoinitiated reaction of the LDPE/C60 system.

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Qu, B., Chen, S.M. & Dai, L.M. Simulation analysis of ESR spectrum of polymer alkyl-C60 radicals formed by photoinitiated reactions of low-density polyethylene. Appl. Magn. Reson. 19, 59–67 (2000). https://doi.org/10.1007/BF03162261

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  • DOI: https://doi.org/10.1007/BF03162261

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