Matches in SemOpenAlex for { <https://semopenalex.org/work/W2106372502> ?p ?o ?g. }
- W2106372502 endingPage "16719" @default.
- W2106372502 startingPage "16719" @default.
- W2106372502 abstract "The phenylperoxyl radical has long been accepted as a critical intermediate in the oxidation of benzene and an archetype for arylperoxyl radicals in combustion and atmospheric chemistry. Despite being central to many contemporary mechanisms underpinning these chemistries, reports of the direct detection or isolation of phenylperoxyl radicals are rare and there is little experimental evidence connecting this intermediate with expected product channels. We have prepared and isolated two charge-tagged phenyl radical models in the gas phase [i.e., 4-(N,N,N-trimethylammonium)phenyl radical cation and 4-carboxylatophenyl radical anion] and observed their reactions with dioxygen by ion-trap mass spectrometry. Measured reaction rates show good agreement with prior reports for the neutral system (k2[(Me3N+)C6H4˙ + O2] = 2.8 × 10−11 cm3 molecule−1 s−1, Φ = 4.9%; k2[(−O2C)C6H4˙ + O2] = 5.4 × 10−11 cm3 molecule−1 s−1, Φ = 9.2%) and the resulting mass spectra provide unequivocal evidence for the formation of phenylperoxyl radicals. Collisional activation of isolated phenylperoxyl radicals reveals unimolecular decomposition by three pathways: (i) loss of dioxygen to reform the initial phenyl radical; (ii) loss of atomic oxygen yielding a phenoxyl radical; and (iii) ejection of the formyl radical to give cyclopentadienone. Stable isotope labeling confirms these assignments. Quantum chemical calculations for both charge-tagged and neutral phenylperoxyl radicals confirm that loss of formyl radical is accessible both thermodynamically and entropically and competitive with direct loss of both hydrogen atom and carbon dioxide." @default.
- W2106372502 created "2016-06-24" @default.
- W2106372502 creator A5009310130 @default.
- W2106372502 creator A5026041565 @default.
- W2106372502 creator A5050431731 @default.
- W2106372502 creator A5056660920 @default.
- W2106372502 creator A5077811306 @default.
- W2106372502 date "2012-01-01" @default.
- W2106372502 modified "2023-10-12" @default.
- W2106372502 title "Isolation and characterization of charge-tagged phenylperoxyl radicals in the gas phase: direct evidence for products and pathways in low temperature benzene oxidation" @default.
- W2106372502 cites W115480405 @default.
- W2106372502 cites W1963501036 @default.
- W2106372502 cites W1968071013 @default.
- W2106372502 cites W1968569669 @default.
- W2106372502 cites W1971889023 @default.
- W2106372502 cites W1972595723 @default.
- W2106372502 cites W1973999567 @default.
- W2106372502 cites W1976074105 @default.
- W2106372502 cites W1979715681 @default.
- W2106372502 cites W1979757309 @default.
- W2106372502 cites W1980140495 @default.
- W2106372502 cites W1980631188 @default.
- W2106372502 cites W1982356449 @default.
- W2106372502 cites W1985188885 @default.
- W2106372502 cites W1986922432 @default.
- W2106372502 cites W1987866578 @default.
- W2106372502 cites W1989331599 @default.
- W2106372502 cites W1989830663 @default.
- W2106372502 cites W1990588383 @default.
- W2106372502 cites W1990999481 @default.
- W2106372502 cites W1996300593 @default.
- W2106372502 cites W1998573066 @default.
- W2106372502 cites W2001303401 @default.
- W2106372502 cites W2002361177 @default.
- W2106372502 cites W2003474587 @default.
- W2106372502 cites W2004025218 @default.
- W2106372502 cites W2005246820 @default.
- W2106372502 cites W2012977001 @default.
- W2106372502 cites W2017885591 @default.
- W2106372502 cites W2018937156 @default.
- W2106372502 cites W2023436982 @default.
- W2106372502 cites W2033185130 @default.
- W2106372502 cites W2033492963 @default.
- W2106372502 cites W2033623442 @default.
- W2106372502 cites W2038513587 @default.
- W2106372502 cites W2042278791 @default.
- W2106372502 cites W2042375109 @default.
- W2106372502 cites W2043471114 @default.
- W2106372502 cites W2044724516 @default.
- W2106372502 cites W2049405523 @default.
- W2106372502 cites W2053610772 @default.
- W2106372502 cites W2053903936 @default.
- W2106372502 cites W2056049404 @default.
- W2106372502 cites W2056825341 @default.
- W2106372502 cites W2061778686 @default.
- W2106372502 cites W2062431664 @default.
- W2106372502 cites W2064316768 @default.
- W2106372502 cites W2073894967 @default.
- W2106372502 cites W2078086290 @default.
- W2106372502 cites W2081423563 @default.
- W2106372502 cites W2085630423 @default.
- W2106372502 cites W2087437568 @default.
- W2106372502 cites W2092027428 @default.
- W2106372502 cites W2092876510 @default.
- W2106372502 cites W2093264248 @default.
- W2106372502 cites W2093992740 @default.
- W2106372502 cites W2095887104 @default.
- W2106372502 cites W2098042394 @default.
- W2106372502 cites W2121430785 @default.
- W2106372502 cites W2122804475 @default.
- W2106372502 cites W2123873489 @default.
- W2106372502 cites W2123969193 @default.
- W2106372502 cites W2131134828 @default.
- W2106372502 cites W2163318816 @default.
- W2106372502 cites W2472211889 @default.
- W2106372502 cites W2949130412 @default.
- W2106372502 cites W2949404676 @default.
- W2106372502 cites W3004976413 @default.
- W2106372502 doi "https://doi.org/10.1039/c2cp43507a" @default.
- W2106372502 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23138779" @default.
- W2106372502 hasPublicationYear "2012" @default.
- W2106372502 type Work @default.
- W2106372502 sameAs 2106372502 @default.
- W2106372502 citedByCount "34" @default.
- W2106372502 countsByYear W21063725022012 @default.
- W2106372502 countsByYear W21063725022013 @default.
- W2106372502 countsByYear W21063725022014 @default.
- W2106372502 countsByYear W21063725022015 @default.
- W2106372502 countsByYear W21063725022016 @default.
- W2106372502 countsByYear W21063725022017 @default.
- W2106372502 countsByYear W21063725022018 @default.
- W2106372502 countsByYear W21063725022019 @default.
- W2106372502 countsByYear W21063725022020 @default.
- W2106372502 countsByYear W21063725022021 @default.
- W2106372502 countsByYear W21063725022022 @default.
- W2106372502 countsByYear W21063725022023 @default.
- W2106372502 crossrefType "journal-article" @default.
- W2106372502 hasAuthorship W2106372502A5009310130 @default.