Molecular mass growth through ring expansion in polycyclic aromatic hydrocarbons via radical–radical reactions

Zhao, Long; Kaiser, Ralf. I.; Lu, Wenchao; Xu, Bo; Ahmed, Musahid; Morozov, Alexander N.; Mebel, Alexander M.; Howlader, A. Hasan; Wnuk, Stanislaw F.

doi:10.1038/s41467-019-11652-5

Title: Molecular mass growth through ring expansion in polycyclic aromatic hydrocarbons via radical–radical reactions

Journal Article · Thu Aug 15 00:00:00 EDT 2019 · Nature Communications

DOI:https://doi.org/10.1038/s41467-019-11652-5· OSTI ID:1619682

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; Morozov, Alexander N.;

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Polycyclic aromatic hydrocarbons (PAHs) represent key molecular building blocks leading to carbonaceous nanoparticles identified in combustion systems and extraterrestrial environments. However, the understanding of their formation and growth in these high temperature environments has remained elusive. We present a mechanism through laboratory experiments and computations revealing how the prototype PAH—naphthalene—can be efficiently formed via a rapid 1-indenyl radical—methyl radical reaction. This versatile route converts five- to six-membered rings and provides a detailed view of high temperature mass growth processes that can eventually lead to graphene-type PAHs and two-dimensional nanostructures providing a radical new view about the transformations of carbon in our universe.

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

Sponsoring Organization:: USDOE Office of Secretary of Energy (S); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division

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

OSTI ID:: 1619682

Alternate ID(s):: OSTI ID: 1561947; OSTI ID: 1594727; OSTI ID: 1603225

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 10 Journal Issue: 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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Cited by: 45 works

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