Dynamics study of the HO(v′=0)+O2(v") branching atmospheric reaction.: 1.: Formation of hydroperoxyl radical

被引：19
|
作者：
Garrido, JD
Caridade, PJSB
Varandas, AJC [1 ]
机构：
[1] Univ Coimbra, Dept Quim, P-3049 Coimbra, Portugal
[2] Inst Super Ciencias & Tecnol Nucl, Dept Fis Gen & Matemat, Havana 6163, Cuba
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 1999年 / 103卷 / 25期
关键词：
D O I：
10.1021/jp990756o
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 less than or equal to E-tr/kcal mol(-1) less than or equal to 40 and the range 13 less than or equal to upsilon " less than or equal to 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3.
引用
收藏
页码：4815 / 4822
页数：8
相关论文
共 50 条
  • [1] Dynamics study of the O2(v)+HO2 atmospheric reaction
    Zhang, L
    Varandas, AJC
    JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (45): : 10347 - 10355
  • [2] On the O2(v′)+O2(v") atmospheric reaction.: II.: The role of rotational excitation
    Wang, W
    Varandas, AJC
    CHEMICAL PHYSICS, 1998, 236 (1-3) : 181 - 188
  • [3] Reaction and inelastic processes in the collision O2(v>>0)+O2 (v=0)
    Campos-Martinez, J
    Carmona-Novillo, E
    Echave, J
    Hernandez, MI
    Hernandez-Lamoneda, R
    Palma, J
    EUROPEAN PHYSICAL JOURNAL D, 1998, 4 (02): : 159 - 168
  • [4] Dynamics study of the OH + O2 branching atmospheric reaction. 3: Dissociation in collisions of vibrationally excited reactants
    Varandas, A.J.C. (varandas@qtvs1.qui.uc.pt), 2001, American Chemical Society (105):
  • [5] Dynamics study of the OH+O2 branching atmospheric reaction.: 2.: Influence of reactants internal energy in HO2 and O3 formation
    Caridade, PJSB
    Zhang, L
    Garrido, JD
    Varandas, AJC
    JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (18): : 4395 - 4402
  • [6] Dynamics study of OH(V)+NO2⇆HOONO* → OH(V′)+NO2 reaction.
    Liu, Y
    Barker, JR
    Lohr, LL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U760 - U760
  • [7] TEMPERATURE-DEPENDENCE OF THE RATE CONSTANTS OF THE VV ENERGY EXCHANGE FOR N2(V=1)+O2(V=0)-]N2(V=0)+O2(V=1)
    REE, J
    CHUNG, KH
    KIM, HJ
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 1986, 7 (03) : 241 - 245
  • [8] Structure and rovibrational analysis of the [O2(1Δg)v=0]2←[O2(3Σg-)v=0]2 transition of the O2 dimer
    Biennier, L
    Romanini, D
    Kachanov, A
    Campargue, A
    Bussery-Honvault, B
    Bacis, R
    JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (14): : 6309 - 6321
  • [9] An FTIR emission study of the products of NO A2Σ+ (v=0, 1) + O2 collisions
    Few, Julian
    Fletcher, James D.
    Hancock, Gus
    Redmond, Jennifer L.
    Ritchie, Grant A. D.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (18) : 11289 - 11298
  • [10] Dynamics of the OH(v=1,2,4)+O3 atmospheric reaction
    Zhang, L
    Varandas, AJC
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2001, 3 (08) : 1439 - 1445
12345