@Article{JAMS-1-48,
author = {Dmitry Yu. Zubarev, Neil Robertson, Dominik Domin, Jarrod McClean, Jin-Hua Wang, William A. Lester, Jr., Russell Whitesides, Xiao-Qing You and Michael Frenklach},
title = {Polyaromatic Hydrocarbon Oxyradical Stability},
journal = {Journal of Atomic and Molecular Sciences},
year = {2010},
volume = {1},
number = {1},
pages = {48--53},
abstract = {
A simple connection is established between aromaticity and overall stability
of five-ring linear polyaromatic hydrocarbon oxyradicals. A chemically intuitive
model is developed that exhibits a linear trend between an inexpensive geometric measure
of aromaticity and the energetic stability of a model graphene edge with oxygen
at different positions. It is believed to be an important step in establishing reaction
pathways of soot and graphene oxidation.
},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.011310.012010a},
url = {http://global-sci.org/intro/article_detail/jams/8064.html}
}
TY - JOUR
T1 - Polyaromatic Hydrocarbon Oxyradical Stability
AU - Dmitry Yu. Zubarev, Neil Robertson, Dominik Domin, Jarrod McClean, Jin-Hua Wang, William A. Lester, Jr., Russell Whitesides, Xiao-Qing You & Michael Frenklach
JO - Journal of Atomic and Molecular Sciences
VL - 1
SP - 48
EP - 53
PY - 2010
DA - 2010/01
SN - 1
DO - http://doi.org/10.4208/jams.011310.012010a
UR - https://global-sci.org/intro/article_detail/jams/8064.html
KW - graphene edge, polyaromatic hydrocarbons, oxidation, aromaticity.
AB -
A simple connection is established between aromaticity and overall stability
of five-ring linear polyaromatic hydrocarbon oxyradicals. A chemically intuitive
model is developed that exhibits a linear trend between an inexpensive geometric measure
of aromaticity and the energetic stability of a model graphene edge with oxygen
at different positions. It is believed to be an important step in establishing reaction
pathways of soot and graphene oxidation.
Dmitry Yu. Zubarev, Neil Robertson, Dominik Domin, Jarrod McClean, Jin-Hua Wang, William A. Lester, Jr., Russell Whitesides, Xiao-Qing You and Michael Frenklach. (2010). Polyaromatic Hydrocarbon Oxyradical Stability.
Journal of Atomic and Molecular Sciences. 1 (1).
48-53.
doi:10.4208/jams.011310.012010a
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