A kinetics study on reactions of C6H5O with C6H5O and O3 at 298 k
โ Scribed by Zhining Tao; Zhuangjie Li
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 166 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0538-8066
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โฆ Synopsis
Kinetics for reactions of phenoxy radical, C 6 H 5 O, with itself and with O 3 were examined at 298 K and low pressure (1 Torr) using discharge flow coupled with mass spectrometry (DF/MS). The rate constant for the phenoxy radical self-reaction was determined to be k
The rate constant for the C 6 H 5 O reaction with O 3 was measured to be k 2 ฯญ (2.86 ฯฎ 0.35) ฯซ 10 ฯช13 cm 3 molecule ฯช1 s ฯช1 , which may be a lower limit value. Because of much higher atmospheric abundance of ozone than that of both NO and phenoxy, the reaction of C 6 H 5 O with ozone may represent the principal fate of the phenoxy radical in the atmosphere. Products from reaction of C 6 H 5 O ฯฉ C 6 H 5 O, NO, and NO 2 were also investigated, and (C 6 H 5 O) 2 (m/e ฯญ 186), C 6 H 5 O(NO) (m/e ฯญ 123), and C 6 H 5 O(NO 2 ) (m/e ฯญ 139) adducts were observed as products for the reactions of C 6 H 5 O with itself, NO, and NO 2 , respectively.
๐ SIMILAR VOLUMES
The rate constants of the reactions of ethoxy (C 2 H 5 O), i-propoxy (i-C 3 H 7 O) and npropoxy (n-C 3 H 7 O) radicals with O 2 and NO have been measured as a function of temperature. Radicals have been generated by laser photolysis from the appropriate alkyl nitrite and have been detected by laser-
The core-electron binding energies of six isomers of C H O and four 3 6 2 isomers of C H NO were calculated by a DFTruGTSrscaled-pVTZ approach. An average 3 5 absolute deviation from experiment of 0.15 eV was found for 14 C, N, and O 1 s energies. ลฝ . The results confirm the distinctive nature of t