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Differential energy distributions in nonthermal systems: Model calculations and applications to 18 F‐for‐F nuclear recoil substitutions in CH 3 CF 3
Author(s) -
Rogers E. B.,
Tang Y.N.,
Rodgers A. S.,
Chui C. K.
Publication year - 1987
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550190702
Subject(s) - kinetic energy , chemistry , recoil , atom (system on chip) , molecule , distribution (mathematics) , hot atom , atomic physics , thermodynamics , computational chemistry , physics , organic chemistry , mathematical analysis , mathematics , computer science , embedded system , quantum mechanics
Abstract A general method has been developed for the determination of the differential energy distribution in nonthermally activated reacting systems. A series of known distributions and kinetic models has been used to test this method and to determine its efficacy. Application was then made to the kinetic data of energetic CH 3 CF 2 18 F formed by the substitution of F by 18 F produced by nuclear recoil. The distribution obtained for this activated CH 3 CF 2 18 F is seen to be highly energetic with a median energy of 137.6 kcal mol −1 and with 33.1% of the molecules possessing energy in excess of 171 kcal mol −1 . The shape of the calculated distribution suggests that there are two mechanisms for the formation of CH 3 CF 2 18 F from CH 3 CF 3 and 18 F, as well as that 62 kcal mol −1 is a lower limit to the kinetic energy needed by the 18 F atom for this substitution to take place.