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Title: Estimation of Rate Constants for Gas-Phase Reactions of Chrysene, Benz[a]anthracene, and Benzanthrone with OH and NO₃ Radicals via a Relative Rate Method in CCl₄ Liquid Phase-System
Authors: Kameda, Takayuki  kyouindb  KAKEN_id
Asano, Kohei
Bandow, Hiroshi
Hayakawa, Kazuichi
Author's alias: 亀田, 貴之
Keywords: Atmospheric nitration
nitro-PAH
PAH
radical-initiated reactions
Issue Date: 2017
Publisher: Taylor & Francis
Journal title: Polycyclic Aromatic Compounds
Volume: 37
Issue: 2-3
Start page: 101
End page: 105
Abstract: CCl₄ liquid-phase reaction kinetics of polycyclic aromatic compounds (PACs), including chrysene (CHRY), benz[a]anthracene (BaA), and benzanthrone (BA), with NO₃ radicals were investigated at 273 K using a relative rate method with naphthalene (NA) as the reference compound. The obtained relative reaction rates of CHRY, BaA, and BA to NA were 1.76 ± 0.08, 2.27 ± 0.20, 0.75 ± 0.01, respectively. CHRY, BaA, and BA are semi-volatile PACs with four aromatic rings. They are chemically modified into mutagenic nitropolycyclic aromatic compounds via gas-phase OH or NO₃ radical-initiated reactions. Based on the PACs relative reactivity in the CCl₄ liquid phase-system, the rate constants at 298 K for the gas-phase reaction of CHRY, BaA, and BA with OH radicals and those of CHRY, BaA, and BA with NO₃ radicals were estimated to be (in cm³molecule⁻¹s⁻¹): CHRY, (4.4 ± 0.3) × 10⁻¹¹ and (9.2 ± 3.2) × 10⁻²⁸ [NO₂]; BaA, (5.3 ± 0.5) × 10⁻¹¹ and (1.3 ± 0.5) × 10⁻²⁷ [NO₂]; BA, (2.3 ± 0.1) × 10⁻¹¹ and (3.1 ± 1.1) × 10⁻²⁸ [NO₂].
Description: The 25th International Symposium on Polycyclic Aromatic Compounds (ISPAC 25)
Rights: This is an Accepted Manuscript of an article published by Taylor & Francis in 'Polycyclic Aromatic Compounds' on 2016, available online: https://www.tandfonline.com/10.1080/10406638.2016.1159583
The full-text file will be made open to the public on 04 Apr 2017 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
URI: http://hdl.handle.net/2433/237671
DOI(Published Version): 10.1080/10406638.2016.1159583
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