Dynamics of third order direct three-body recombination of heavy ions

Abstract

Dynamics of direct three-body recombination of cesium and fluoride (iodide) ions in the presence of argon (xenon) atoms is studied.

A Hard Sphere Model for Bimolecular Recombination of Heavy Ions

“…These 20 types cover 99.9709% of all the non-recombinative collisions. The three most frequent types of non-recombinative collisions are the same types , ( 13), (23) as in the case of the hard sphere model of direct three-body recombination (5) [31,32] (however, the proportions of occurrence of these types in the hard sphere model of three-body recombination were completely different). Together, these three types make up 94.8824% of all the non-recombinative collisions.…”

“…As the radii of the balls, we used the ionic radii of the ions Cs + and Br -(1.67 and 1.96 Å, respectively [50]) and the atomic radii of the neutral atoms Ar, Kr, Xe, Hg (1.92 [51], 1.98 [52], 2.18 [52], and 1.55 Å [53], respectively). We employed the same Cs + -R interaction potentials as in the works [2,7,[12][13][14][15][16][17][18][19][20][21][22][23] devoted to trajectory simulation of recombination (3) and ( 4) with M + = Cs + .…”

“…This is primarily due to the fact that it is extremely difficult to experimentally implement the intersection of three sufficiently intense beams or of two beams and a dense gas target. On the other hand, various dynamical characteristics of the reactions (3) with M + = Cs + have been examined in detail within the framework of the quasiclassical trajectory method [2,7,[12][13][14][15][16][17][18][19][20][21][22][23]. The paper [22] presents the results of quasiclassical trajectory simulation of one of the reactions (4), namely, of the XeCs + + Brreaction.…”

Detailed dynamics of direct three-body recombination of singly charged ions

“…A little while ago, the same method has been used to study the dynamics of four reactions of the form (1) with M + = Cs + , X À = F À , I À , and R = Ar, Xe. 21 In all the works, [10][11][12][13][14][15][16][17][18][19][20][21] we carried out quasiclassical trajectory simulation of direct three-body recombination reactions (1) on diabatic semiempirical PESs. The adequacy of these PESs is confirmed by the fact that they ensure, again within the framework of quasiclassical trajectory simulation, quantitative reproduction of many dynamical features (obtained in crossed molecular beam experiments) of the reverse CID reactions…”

“…in the works. 11,12,[16][17][18]21 Here we confine ourselves by the note that for all the systems M + X À R explored, the PES U has been the sum of the three pairwise potentials and a cross term corresponding to the polarization interaction in the system of the R atom and the M + -X À dipole. The ionic potential of the interaction M + -X À in the salt molecule MX was given by the standard truncated Rittner model 23,24 U(r) = Ae Àr/r À 1/r À (a M + + a X À)/(2r 4 ) À C/r 6 (3) (in atomic units), whereas the potentials of the interactions M + -R and X À -R for R = Ar, Kr, Xe were given by the model 25…”