Non-equilibrium ion-(polar) molecule reaction rate coefficients

1985 ◽  
Vol 28 (2) ◽  
pp. 353-357 ◽  
Author(s):  
R. Schmidt ◽  
R. Schuster ◽  
W. Stiller
Keyword(s):  
Reaction Rate ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Molecule Reaction ◽  
Non Equilibrium

scholarly journals Ion-Molecule Reaction Studies below 80 K by the CRESU Technique

1987 ◽  
Vol 120 ◽  
pp. 19-23
Author(s):  
J. B. Marquette ◽  
B. R. Rowe ◽  
G. Dupeyrat ◽  
G. Poissant
Keyword(s):  
Low Temperatures ◽  
Reaction Rate ◽  
Thermal Conditions ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Third Body ◽  
Basic Principles ◽  
Molecule Reaction

The basic principles of the CRESU technique (Cinétique de Réactions en Ecoulement Supersonique Uniforme) are presented. This technique allows ion-molecule reaction rate coefficients under true thermal conditions at interstellar temperatures. Various behaviors of both third-body association and binary reactions with temperature have been observed, including ion-polar molecule reactions whose rate coefficients sharply increase at very low temperatures.

The Pressure Dependance of Ion-Molecule Reaction Rate Coefficients: CH3+ + HCN/He

1985 ◽  
Vol 38 (2) ◽  
pp. 231 ◽  
Author(s):  
RG Gilbert ◽  
MJ McEwan
Keyword(s):  
Reaction Rate ◽  
Rate Coefficients ◽  
Molecule Reaction ◽  
Ion Molecule Reactions ◽  
Methyl Isocyanide ◽  
Microscopic Reaction ◽  
Energy Dependent ◽  
Collisional Energy Transfer ◽  
Activated Complex ◽  
Transfer Probability

Illustrative calculations are presented on the application to termolecular ion-molecule reactions of methods recently developed for the study of fall-off effects in neutral thermal unimolecular reactions. The energy-dependent microscopic reaction rate, k(E), is obtained from RRKM theory with activated complex parameters first estimated by using ab initio and spectroscopic data and then refined to yield the appropriate pressure-saturated rate. The collisional energy transfer probability distribution function, P(E,E′), is obtained by fitting the fall-off data, guided by information from trajectory calculations. Overall rate coefficients are computed from accurate solutions to the appropriate integral master equation. The illustrative calculations are for the CH3+ + HCN+He → C2H4N+ +He system. It is shown that pressure-dependent data for ion-molecule systems can yield reliable information on P(E,E′). Collisions with the bath gas (He) are comparatively weak, with the average downward energy transferred per collision being c. 8 kJ mol-1. The product of the reaction before any isomerization can occur is shown to be protonated methyl isocyanide , H3CNCH+.

Non-equilibrium rate coefficients and isotope effect with bimolecular ion-(polar) molecule reactions in xenon

1986 ◽  
Vol 70 (5) ◽  
pp. 357-364 ◽  
Author(s):  
Wolfgang Stiller ◽  
Reinhard Schuster ◽  
Rainer Schmidt
Keyword(s):  
Isotope Effect ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Non Equilibrium
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