论文标题

Buckyball-Metal络合物是天文不明红外发射带的有前途的载体

Buckyball-metal complexes as promising carriers of astronomical unidentified infrared emission bands

论文作者

Hou, Gao-Lei, Lushchikova, Olga V., Bakker, Joost M., Lievens, Peter, Decin, Leen, Janssens, Ewald

论文摘要

在各种天体物理环境中观察到具有3-20μm之间波长在3-20μm之间的红外发射带[1,2]。它们在1970年代被发现,通常归因于有机化合物[3,4]。但是,超过40年的研究工作仍然留下了这些排放带的来源,在很大程度上不明显[5-7]。在这里,我们报告了第一个实验室红外(6-25μm)气相富勒烯 - 金属复合物,[C60-Metal]+(Metal = Fe和V),并显示了密度功能理论计算,即C60与宇宙丰富的金属的复合物,包括Li,Na,Na,K,Mg,Ca,Ca,Ca,ca,ca,al,v,v and fe and and and implare coppeds conseptrals c60。与来自富勒烯的几个星星星云的观察红外光谱进行比较表明,有强烈的正线性互相关。 [C60-Metal]+与早期归因于中性C60频段的四个频段的红外功能以及至今的几个无法解释的频段。丰度和碰撞理论的估计还表明,[C60-Metal]+可以在天体物理环境中形成并生存。因此,[C60-metal]+被提出为有前途的载体,以补充C60的天文红外发射带,该载体可能代表除裸露的富富烯c60,c60+和c70以外的空间中最大的分子物种。这项工作为研究宇宙中宇宙富勒烯物种和碳化学的新篇章开辟了新的篇章。

Infrared emission bands with wavelengths between 3-20 μm are observed in a variety of astrophysical environments [1,2]. They were discovered in the 1970s and are generally attributed to organic compounds [3,4]. However, over 40 years of research efforts still leave the source of these emission bands largely unidentified [5-7]. Here, we report the first laboratory infrared (6-25 μm) spectra of gas-phase fullerene-metal complexes, [C60-Metal]+ (Metal = Fe and V), and show with density functional theory calculations that complexes of C60 with cosmically abundant metals, including Li, Na, K, Mg, Ca, Al, V, and Fe, all have similar infrared spectral patterns. Comparison with observational infrared spectra from several fullerene-rich planetary nebulae demonstrates a strong positive linear cross-correlation. The infrared features of [C60-Metal]+ coincide with four bands attributed earlier to neutral C60 bands, and in addition also with several to date unexplained bands. Abundance and collision theory estimates furthermore indicate that [C60-Metal]+ could plausibly form and survive in astrophysical environments. Hence, [C60-Metal]+ are proposed as promising carriers, in supplement to C60, of astronomical infrared emission bands, potentially representing the largest molecular species in space other than the bare fullerenes C60, C60+, and C70. This work opens a new chapter for studying cosmic fullerene species and carbon chemistry in the Universe.

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