Low-temperature formation of polycyclic aromatic hydrocarbons in Titan’s atmosphere

Zhao, Long; Kaiser, Ralf I.; Xu, Bo; Ablikim, Utuq; Ahmed, Musahid; Evseev, Mikhail M.; Bashkirov, Eugene K.; Azyazov, Valeriy N.; Mebel, Alexander M.

doi:10.1038/s41550-018-0585-y

Low-temperature formation of polycyclic aromatic hydrocarbons in Titan’s atmosphere

Journal Article · Mon Oct 08 00:00:00 EDT 2018 · Nature Astronomy

DOI:https://doi.org/10.1038/s41550-018-0585-y· OSTI ID:1603089

Zhao, Long ^[1]; Kaiser, Ralf I. ^[2]; ^[3]; Ablikim, Utuq ^[3]; ^[3]; Evseev, Mikhail M. ^[4]; Bashkirov, Eugene K. ^[4]; Azyazov, Valeriy N. ^[4]; Mebel, Alexander M. ^[5]

Univ. of Hawaii at Manoa, Honolulu, HI (United States); University of Hawaii at Manoa
Univ. of Hawaii at Manoa, Honolulu, HI (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Samara Univ. (Russian Federation)
Samara Univ. (Russian Federation); Florida International Univ., Miami, FL (United States)

The detection of benzene in Titan’s atmosphere led to the emergence of polycyclic aromatic hydrocarbons (PAHs) as potential nucleation agents triggering the growth of Titan’s orange-brownish haze layers. However, the fundamental mechanisms leading to the formation of PAHs in Titan’s low-temperature atmosphere have remained elusive. We provide persuasive evidence through laboratory experiments and computations that prototype PAHs like anthracene and phenanthrene (C₁₄H₁₀) are synthesized via barrierless reactions involving naphthyl radicals (C₁₀H₇•) with vinylacetylene (CH₂=CH–C≡CH) in low-temperature environments. These elementary reactions are rapid, have no entrance barriers, and synthesize anthracene and phenanthrene via van der Waals complexes and submerged barriers. This facile route to anthracene and phenanthrene—potential building blocks to complex PAHs and aerosols in Titan—signifies a critical shift in the perception that PAHs can only be formed under high-temperature conditions, providing a detailed understanding of the chemistry of Titan’s atmosphere by untangling elementary reactions on the most fundamental level.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Univ. of Hawaii at Manoa, Honolulu, HI (United States)

Sponsoring Organization:: Ministry of Education and Science of the Russian Federation; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC02-05CH11231; FG02-03ER15411; FG02-04ER15570

OSTI ID:: 1603089

Alternate ID(s):: OSTI ID: 1608262

Journal Information:: Nature Astronomy, Journal Name: Nature Astronomy Journal Issue: 12 Vol. 2; ISSN 2397-3366

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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