Rate coefficients for the endothermic reactions

Hierl, Peter M.; Morris, Robert A.; Viggiano, A.A.
June 1997
Journal of Chemical Physics;6/22/1997, Vol. 106 Issue 24, p10145
Academic Journal
Reports on the measurement of the bimolecular rate coefficients for the endothermic reactions of C[sup +]([sup 2]P) with H[sub 2] and D[sub 2] as functions of temperature using a high temperature flowing afterglow apparatus. Use of the phase space theory to model the results of the GIB study.


Related Articles

  • Simplification of the transition state concept in reactive island theory: Application to the HCN<=>CNH isomerization. De Leon, N.; Ling, S. // Journal of Chemical Physics;9/15/1994, Vol. 101 Issue 6, p4790 

    The reactive island (RI) theory of chemical reaction rates is modified so that a precise knowledge of the transition state is not required. This revised form of the theory is applied to a realistic two (J=0) and three degree of freedom model (J≠0) of the isomerization HCN⇄CNH. The...

  • Phase space dynamics of bimolecular reactions and the breakdown of transition state theory. Davis, Michael J. // Journal of Chemical Physics;4/1/1987, Vol. 86 Issue 7, p3978 

    We investigate the phase structure of the reaction H+H2 restricted to collinear geometry. When variational transition state theory is exact, the phase space structure is relatively simple and a phase space approach is in agreement with this theory which is centered in configuration space. At...

  • A phase space analysis of the collinear I+HI reaction. Skodje, Rex T.; Davis, Michael J. // Journal of Chemical Physics;2/15/1988, Vol. 88 Issue 4, p2429 

    The collinear I+HI reaction is studied using an approach based on the concepts of nonlinear dynamics. Three closed regions in phase space are constructed by connecting the dynamical manifolds emanating from physically important periodic orbits. It is shown that many features of the reaction...

  • Multiple transition states in chemical reactions: Variational transition state theory studies of the HO2 and HeH+2 systems. Song, Kihyung; Chesnavich, Walter J. // Journal of Chemical Physics;10/15/1989, Vol. 91 Issue 8, p4664 

    The results of a microcanonical variational transition state theory study of the HO2 and HeH+2 systems are reported. The calculations were carried out using a modification of the Wardlaw–Marcus flexible transition state theory method in which the sum of states N(E,R) is calculated...

  • Calculations on the rate of the ion–molecule reaction between NH+3 and H2. Herbst, Eric; DeFrees, D. J.; Talbi, D.; Pauzat, F.; Koch, W.; McLean, A. D. // Journal of Chemical Physics;6/15/1991, Vol. 94 Issue 12, p7842 

    The rate coefficient for the ion–molecule reaction NH+3 +H2→NH+4+H has been calculated as a function of temperature with the use of the statistical phase space approach. The potential surface and reaction complex and transition state parameters used in the calculation have been...

  • On the key factors of angular correlations in complex-forming elementary reactions. Bonnet, L.; Rayez, J. C. // European Physical Journal D -- Atoms, Molecules, Clusters & Opti;Apr2006, Vol. 38 Issue 1, p65 

    In the mid-seventies, Case and Herschbach argued that for complex-forming three-atom reactions governed by long-range forces and performed in supersonic molecular beam experiments, vectorial properties are determined by a single parameter Λ' = 〈L'/(L' + j')〉, L' and j' being...

  • Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces. Bargueño, Pedro; González-Lezana, Tomás; Larrégaray, Pascal; Bonnet, Laurent; Rayez, Jean-Claude; Hankel, Marlies; Smith, Sean C.; Meijer, Anthony J. H. M. // Journal of Chemical Physics;6/28/2008, Vol. 128 Issue 24, p244308 

    The possible existence of a complex-forming pathway for the H+O2 reaction has been investigated by means of both quantum mechanical and statistical techniques. Reaction probabilities, integral cross sections, and differential cross sections have been obtained with a statistical quantum method...

  • Gaining mechanistic insight from closed loop learning control: The importance of basis in searching the phase space. Langhojer, Florian; Cardoza, David; Baertschy, Mark; Weinacht, Thomas // Journal of Chemical Physics;1/1/2005, Vol. 122 Issue 1, p014102 

    This paper discusses different routes to gaining insight from closed loop learning control experiments. We focus on the role of the basis in which pulse shapes are encoded and the algorithmic search is performed. We demonstrate that a physically motivated, nonlinear basis change can reduce the...

  • Phase-space reaction network on a multisaddle energy landscape: HCN isomerization. Li, Chun-Biu; Matsunaga, Yasuhiro; Toda, Mikito; Komatsuzaki, Tamiki // Journal of Chemical Physics;11/8/2005, Vol. 123 Issue 18, p184301 

    By using the HCN/CNH isomerization reaction as an illustrative vehicle of chemical reactions on multisaddle energy landscapes, we give explicit visualizations of molecular motions associated with a straight-through reaction tube in the phase space inside which all reactive trajectories pass from...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics