Complexes of C60 with metal ions: potential carriers of astronomical infrared emission bands?
Complexes of C60 with metal ions: potential carriers of astronomical infrared emission bands?

Complexes of C60 with metal ions: potential carriers of astronomical infrared emission bands?

Astronomical unidentified infrared emission (UIE) bands are observed between 3 and 20 μm in a variety of cosmic environments. Discovered in the 1970s, and generally attributed to polycyclic aromatic hydrocarbon (PAH) molecules, their precise carriers are largely unknown. In 2010, fullerene C60¬, the highly stable football-shaped molecules, was identified as one carrier of interstellar bands, but its high symmetry only allows four bands to emit IR radiation.

Even before this discovery, charge-transfer complexes consisting of C60 and astronomically abundant metal ions were proposed as potential carriers for the UIEs and for a second set of spectral bands, now in the visible wavelength range and observed in absorption (diffuse interstellar bands, DIBs). Such conjectures were impossible to test for lack of laboratory spectra of C60-metal ion complexes.

Researchers from HFML-FELIX, KU Leuven (Belgium), and Xi'an Jiaotong University (China) used the FELICE free-electron laser to record the first laboratory infrared (6–25 μm) spectra of gas-phase C60-Metal+ (Metal = Fe, V) complexes. The complexation with the metal ion breaks the icosahedral symmetry leading to the appearance of a wealth of infrared active bands. The team further shows with quantum-chemical calculations that complexes of C60 with cosmically abundant metals, including Li, Na, K, Mg, Ca, Al, V, Fe, all have similar spectral patterns. They compared the laboratory and calculated spectra with the Spitzer observational infrared spectra from several fullerene-rich planetary nebulae and found a strong positive linear cross-correlation. The infrared bands of C60-Metal+ coincide with four bands attributed earlier to neutral C60, but also with several to date unexplained bands.

Complexes of C60 with metal ions: potential carriers of astronomical infrared emission bands?

The origin and formation mechanisms of fullerenes in space are still mysterious. Because metals can act as catalysts in the nucleation and growth of various carbon nanostructures, such as carbon nanotubes and carbon cages under oxygen- and hydrogen-rich conditions, the potential presence of fullerene-metal complexes may link the chemical pathways and mechanisms of the formation and evolution of various carbonaceous species and thus carbon chemistry in space. The high-resolution and high-sensitivity data from the James Webb Space Telescope that are expected to come soon can provide better constraints on the environmental condition of specific fullerene-metal complexes and their abundances, of crucial importance for revealing the dominant chemical pathways, and in particular the initial steps of fullerene formation in the universe.

Publication

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

Buckyball-metal Complexes as Potential Carriers of Astronomical Unidentified Infrared Emission Bands

Astrophysical Journal 952 13 (2023)

https://doi.org/10.3847/1538-4357/accf1b

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