Opacity analysis of steric requirements in elementary chemical reactions
作者： R.D. Levine , R.B. Bernstein
DOI: 10.1016/0009-2614(84)80092-5
关键词:
摘要: Abstract The orientation dependence of the barrier to reaction is incorporated into classical line-of-centers model obtain “cone acceptance” upon impact parameter and collision energy. Simple expressions for orientation-averaged opacity function, cross section steric factor are derived. Comparison made with recent trajectory calculations by Blais Truhlar H + D2 reaction.
elsevier.com
sci-hub.se 参考文章(13)
R. B. Bernstein, R. D. Levine, Phenomenological Analysis of Reactive Scattering The Journal of Chemical Physics. ,vol. 49, pp. 3872- 3878 ,(1968) , 10.1063/1.1670692
D. H. Parker, K. K. Chakravorty, R. B. Bernstein, Reactive asymmetry of methyl iodide. The crossed-beam reaction of oriented methyl iodide with rubidium The Journal of Physical Chemistry. ,vol. 85, pp. 466- 468 ,(1981) , 10.1021/J150605A002
Donald G. Truhlar, Charles J. Horowitz, Functional representation of Liu and Siegbahn’s accurate ab initio potential energy calculations for H+H2 The Journal of Chemical Physics. ,vol. 68, pp. 2466- 2476 ,(1978) , 10.1063/1.436019
D.H. Parker, K.K. Chakravorty, R.B. Bernstein, Crossed beam reaction of oriented methyl iodide with rubidium: Steric factor and reactive asymmetry versus scattering angle Chemical Physics Letters. ,vol. 86, pp. 113- 117 ,(1982) , 10.1016/0009-2614(82)83251-X
D. van den Ende, S. Stolte, J. B. Cross, G. H. Kwei, J. J. Valentini, Evidence for two different transition states in the reaction of NO+O3→NO2+O2 The Journal of Chemical Physics. ,vol. 77, pp. 2206- 2208 ,(1982) , 10.1063/1.444028
S. Stolte, K.K. Chakravorty, R.B. Bernstein, D.H. Parker, Analysis of the steric dependence of the CH3I + Rb reaction using a legendre expansion technique Chemical Physics. ,vol. 71, pp. 353- 361 ,(1982) , 10.1016/0301-0104(82)85042-8
Normand C. Blais, Donald G. Truhlar, Calculated product-state distributions for the reaction H + D2 → HD + D at relative translational energies 0.55 and 1.30 eV Chemical Physics Letters. ,vol. 102, pp. 120- 125 ,(1983) , 10.1016/0009-2614(83)87376-X
P. Siegbahn, B. Liu, An accurate three‐dimensional potential energy surface for H3 The Journal of Chemical Physics. ,vol. 68, pp. 2457- 2465 ,(1978) , 10.1063/1.436018
M. Karplus, R. N. Porter, R. D. Sharma, Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2) The Journal of Chemical Physics. ,vol. 43, pp. 3259- 3287 ,(1965) , 10.1063/1.1697301
Robert J. Beuhler, Richard B. Bernstein, Crossed‐Beam Study of the Reactive Asymmetry of Oriented Methyl Iodide Molecules with Rubidium The Journal of Chemical Physics. ,vol. 51, pp. 5305- 5315 ,(1969) , 10.1063/1.1671950