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• W2330371878 endingPage "11793" @default.
• W2330371878 startingPage "11783" @default.
• W2330371878 abstract "The crossed molecular beam reactions of dicarbon, C2(X1Σg+, a3Πu), with propene (C3H6; X1A′) and with the partially deuterated D3 counterparts (CD3CHCH2, CH3CDCD2) were conducted at collision energies of about 21 kJ mol–1 under single collision conditions. The experimental data were combined with ab initio and statistical (RRKM) calculations to reveal the underlying reaction mechanisms. Both on the singlet and triplet surfaces, the reactions involve indirect scattering dynamics and are initiated by the addition of the dicarbon reactant to the carbon–carbon double bond of propene. These initial addition complexes rearrange via multiple isomerization steps leading ultimately via atomic hydrogen elimination from the former methyl and vinyl groups to the formation of 1-vinylpropargyl and 3-vinylpropargyl. Both triplet and singlet methylbutatriene species were identified as important reaction intermediates. On the singlet surface, the unimolecular decomposition of the reaction intermediates was found to be barrier-less, whereas on the triplet surface, tight exit transition states were involved. In combustion flames, both radicals can undergo a hydrogen-atom assisted isomerization leading ultimately to the thermodynamically most stable cyclopentadienyl isomer. Alternatively, in a third body process, a subsequent reaction of 1-vinylpropargyl or 3-vinylpropargyl radicals with the propargyl radical might yield to the formation of styrene (C6H5C2H3) in an entrance barrier-less reaction under combustion-like conditions. This presents a strong alternative to the formation of styrene via the reaction of phenyl radicals with ethylene, which is affiliated with an entrance barrier of about 10 kJ mol–1." @default.
• W2330371878 created "2016-06-24" @default.
• W2330371878 creator A5017074713 @default.
• W2330371878 creator A5071757042 @default.
• W2330371878 creator A5080022083 @default.
• W2330371878 creator A5085005476 @default.
• W2330371878 date "2013-06-04" @default.
• W2330371878 modified "2023-10-01" @default.
• W2330371878 title "A Combined Crossed Beam and Ab Initio Investigation of the Gas Phase Reaction of Dicarbon Molecules (C₂; X¹Σ_g⁺/a³Π_u) with Propene (C₃H₆; X¹A′): Identification of the Resonantly Stabilized Free Radicals 1- and 3-Vinylpropargyl" @default.
• W2330371878 cites W1498042447 @default.
• W2330371878 cites W1549685258 @default.
• W2330371878 cites W1617990063 @default.
• W2330371878 cites W1628904276 @default.
• W2330371878 cites W1874714014 @default.
• W2330371878 cites W1970957765 @default.
• W2330371878 cites W1971840164 @default.
• W2330371878 cites W1975310240 @default.
• W2330371878 cites W1977693417 @default.
• W2330371878 cites W1980147752 @default.
• W2330371878 cites W1986055213 @default.
• W2330371878 cites W1987784558 @default.
• W2330371878 cites W1989888882 @default.
• W2330371878 cites W1993627991 @default.
• W2330371878 cites W1993943474 @default.
• W2330371878 cites W1994969858 @default.
• W2330371878 cites W1996163919 @default.
• W2330371878 cites W2001931322 @default.
• W2330371878 cites W2004025218 @default.
• W2330371878 cites W2006306875 @default.
• W2330371878 cites W2006976038 @default.
• W2330371878 cites W2010721993 @default.
• W2330371878 cites W2012458244 @default.
• W2330371878 cites W2017474845 @default.
• W2330371878 cites W2017476613 @default.
• W2330371878 cites W2018990445 @default.
• W2330371878 cites W2019564537 @default.
• W2330371878 cites W2021978015 @default.
• W2330371878 cites W2023271753 @default.
• W2330371878 cites W2024667190 @default.
• W2330371878 cites W2026964172 @default.
• W2330371878 cites W2027232531 @default.
• W2330371878 cites W2030266821 @default.
• W2330371878 cites W2031812197 @default.
• W2330371878 cites W2031856796 @default.
• W2330371878 cites W2033509611 @default.
• W2330371878 cites W2038219472 @default.
• W2330371878 cites W2042180058 @default.
• W2330371878 cites W2042776078 @default.
• W2330371878 cites W2043304825 @default.
• W2330371878 cites W2049300473 @default.
• W2330371878 cites W2052731360 @default.
• W2330371878 cites W2053581012 @default.
• W2330371878 cites W2054479251 @default.
• W2330371878 cites W2055895891 @default.
• W2330371878 cites W2058418820 @default.
• W2330371878 cites W2064316768 @default.
• W2330371878 cites W2069006374 @default.
• W2330371878 cites W2069709184 @default.
• W2330371878 cites W2070633066 @default.
• W2330371878 cites W2070722250 @default.
• W2330371878 cites W2071442113 @default.
• W2330371878 cites W2072420223 @default.
• W2330371878 cites W2073626754 @default.
• W2330371878 cites W2075056238 @default.
• W2330371878 cites W2076308064 @default.
• W2330371878 cites W2079963144 @default.
• W2330371878 cites W2081859480 @default.
• W2330371878 cites W2083209722 @default.
• W2330371878 cites W2087555351 @default.
• W2330371878 cites W2091998328 @default.
• W2330371878 cites W2098418589 @default.
• W2330371878 cites W2138460283 @default.
• W2330371878 cites W2143981217 @default.
• W2330371878 cites W2156902602 @default.
• W2330371878 cites W2307687777 @default.
• W2330371878 cites W2313031114 @default.
• W2330371878 cites W2331178351 @default.
• W2330371878 cites W2623870228 @default.
• W2330371878 cites W3102323848 @default.
• W2330371878 cites W3103253799 @default.
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• W2330371878 doi "https://doi.org/10.1021/jp402700j" @default.
• W2330371878 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23682723" @default.
• W2330371878 hasPublicationYear "2013" @default.
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