Reaction of O(3P) with Carbon Disulfide: Kinetics and Products

被引:1
|
作者
Bedjanian, Yuri [1 ]
机构
[1] CNRS, Inst Combust Aerotherm React & Environm ICARE, F-45071 Orleans 2, France
来源
ACS EARTH AND SPACE CHEMISTRY | 2022年 / 6卷 / 11期
关键词
carbon disulfide; oxygen atom; OCS; kinetics; atmospheric chemistry; ATMOSPHERIC OXIDATION; RATE CONSTANTS; OXYGEN-ATOMS; CS2; NO2; ESR; OH;
D O I
10.1021/acsearthspacechem.2c00237
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The kinetics and products of the reaction of ground-state O atoms with carbon disulfide, of interest for atmospheric and combustion chemistry, were studied using a discharge-flow system combined with modulated molecular beam mass spectrometry. The total reaction rate constant was determined in an absolute way from kinetics of CS2 consumption and reaction product, SO radical formation, and employing a relative rate method with two reference reactions: k1 = (3.35 +/- 0.10) x 10-11 exp(-(665 +/- 15)/T) cm3 molecule-1 s-1 at T = 220-960 K, with an estimated independent of temperature uncertainty of 15%. The yields of two reaction products, SO and OCS, were determined at T = 220-960 K, resulting in the following expressions for the branching ratio of the corresponding (SO + CS and OCS + S forming) reaction pathways: k1a/k1 = (0.935 +/- 0.005) x exp(-(7.4 +/- 0.2)/T) and k1b/k1 = (0.067 +/- 0.002) x exp(80 +/- 8/T), where the uncertainties reflect the statistical 2 sigma precision. The reaction rate constant and product data from the present work are discussed in comparison with previous experimental and theoretical studies.
引用
收藏
页码:2673 / 2679
页数:7
相关论文
共 50 条
  • [41] Theoretical studies of the reactions of O(3P) with halogenated methyl (I)Reaction mechanism of the O(3P)+CH2Cl reaction
    Hua Hou
    Baoshan Wang
    Yueshu Gu
    Science in China Series B: Chemistry, 1999, 42 : 479 - 484
  • [42] Kinetics of the reaction CH2CO + O (3P): Are the CH2 and CO2 the most favorable products
    Lima Junior, Adalberto Santana
    Nascimento, Joel Leitao
    Moura, Daniel
    Alves, Tiago Vinicius
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2023, 1222
  • [43] Theoretical studies of the reactions of O(3P) with halogenated methyl (I) -: Reaction mechanism of the O(3P)+CH2Cl reaction
    Hou, H
    Wang, BS
    Gu, YS
    SCIENCE IN CHINA SERIES B-CHEMISTRY, 1999, 42 (05): : 479 - 484
  • [44] Quantum chemical and theoretical kinetics studies on the reaction of carbonyl sulfide with H, OH and O(3P)
    Saheb, Vahid
    Alizadeh, Maliheh
    Rezaei, Farideh
    Shahidi, Shima
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 994 : 25 - 33
  • [45] Adiabatic and Nonadiabatic Reaction Pathways of the O(3P) with Propyne
    Zhao, Shaolei
    Wu, Weiqiang
    Zhao, Hongmei
    Wang, Huan
    Yang, Chunfan
    Liu, Kunhui
    Su, Hongmei
    JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (01): : 23 - 34
  • [46] Product branching fractions for the reaction of O(3P) with ethene
    Miyoshi, Akira
    Yoshida, Jun-ichi
    Shiki, Naoya
    Koshi, Mitsuo
    Matsui, Hiroyuki
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (33) : 7318 - 7323
  • [47] Theoretical study of stereodynamics for reaction O(~3P)+HCl
    朱通
    扈国栋
    陈建中
    刘新国
    张庆刚
    ChinesePhysicsB, 2010, 19 (08) : 350 - 355
  • [48] Isotope Effect in the Carbonyl Sulfide Reaction with O(3P)
    Hattori, Shohei
    Schmidt, Johan A.
    Mahler, Denise W.
    Danielache, Sebastian O.
    Johnson, Matthew S.
    Yoshida, Naohiro
    JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 116 (14): : 3521 - 3526
  • [49] Mechanistic and kinetic study on the reaction of Furan with O(3P)
    Zhang, Yunju
    Sun, Yuxi
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 31 (11)
  • [50] Theoretical studies of the O(3P) plus methane reaction
    Troya, D
    Pascual, RZ
    Schatz, GC
    JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (49): : 10497 - 10506