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The infrared spectrum of protonated buckminsterfullerene C 60 H +
Nature Astronomy ( IF 12.9 ) Pub Date : 2019-11-25 , DOI: 10.1038/s41550-019-0941-6
Julianna Palotás , Jonathan Martens , Giel Berden , Jos Oomens

Although fullerenes have long been hypothesized to occur in interstellar environments, they have only recently been unambiguously identified through spectroscopy1,2,3,4. C60, C70 and C60+ now constitute the largest molecular species individually identified in the interstellar medium. Fullerenes have substantial proton affinities and it has been suggested that C60H+ is likely the most abundant interstellar analogue of C60 (ref. 5). We present here a laboratory infrared (IR) spectrum of gaseous C60H+. Symmetry breaking in C60H+ produces an IR spectrum that is much richer than that of C60. The experimental spectrum is used to benchmark theoretical spectra indicating that the B3LYP density functional with the 6-311+G(d,p) basis set accurately reproduces the spectrum. Comparison with IR emission spectra from two planetary nebulae, SMP LMC56 and SMC16, which have been associated with high C\({}_{60}\) abundances, indicates that C60H+ is a plausible contributor to their IR emission.



中文翻译:

质子化的buckminsterfullerene C 60 H +的红外光谱

尽管富勒烯早就被假设在星际环境中发生,但它们直到最近才通过光谱学1,2,3,4得以明确鉴定。现在,C 60,C 70和C 60 +构成星际介质中单独鉴定出的最大分子物种。富勒烯具有实质性的质子亲和力和它已经表明Ç 60 ħ +可能是C的最丰富的星际类似物60(参考文献5)。我们在这里介绍了气态C 60 H +的实验室红外(IR)光谱。C 60 H +中的对称破坏产生的红外光谱比C 60的红外光谱丰富得多。实验光谱用于对理论光谱进行基准测试,表明具有6-311 + G(d,p)基集的B3LYP密度函数可以准确地再现光谱。与来自两个行星状星云SMP LMC56和SMC16的IR发射光谱的比较表明,C 60 H +是其IR发射的一个可能的原因,SMP LMC56和SMC16已与高C \({} _ {60} \)丰度相关联。

更新日期:2019-11-26
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