J. Turulski et al., TRANSITION-STATE THEORY TREATMENT OF CAPTURE COLLISIONS BETWEEN IONS AND SYMMETRICAL-TOP DIPOLAR MOLECULES, Journal of the Chemical Society. Faraday transactions, 90(20), 1994, pp. 3061-3063
Citations number
12
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Classical microcanonical transition-state theory gives the reduced rat
e coefficient for the capture of an ion by a symmetric top dipole whic
h is dependent on two dimensionless parameters: xi, which is defined b
y molecular constants of the system exclusively and X(1) which is addi
tionally defined by energy. Examination of the energy dependence of th
e microcanonical rate coefficient reveals that at both xi -->, 0 and x
i -->, infinity the values obtained are larger by ca. 20% than those e
stimated for the ion-linear dipole capture. However, thermal averaging
results in complete removal of this difference. Apparently, the dipol
e symmetry is of little consequence under the condition of thermal equ
ilibrium.