Representation of the VP of a generic Rg1Rg2BC vdW molecule, showing the (S 1(2)) sequential, as well as concerted (C 1) without and (C 2) with molecular formation mechanisms.
Coordinate set for a prototypical Rg1Rg2BC vdW molecule in its body-fixed reference frame.
Time evolution of the population of all complexes involved in the vibrational predissociation of Ne2Br2(B, v′ = 21): (a) QCT and (b) CCCS calculations.
Dependence between dissociation lifetimes and final vibrational states in the vibrational predissociation of NeBr2 from v′ = 23: (a) 2-DOF and (b) 3-DOF model.
Schematic view of the main structures in the SOS of a 2-DOF model for the VP of a generic triatomic: separatrix (red, continuous line), outgoing (green, dashed line), and incoming (blue, dashed line) fluxes.
Rotational distributions in the vibrational predissociation of Ne2Br2(B), for (a) NeBr2 intermediate complex and (b) Br2 diatomic product. P X (j) is the quantum distribution used to generate the quasi-classical initial conditions.
Morse parameters for the various pair interactions in Ne2Br2.
Experimental47 and theoretical—this work and MDQT11—lifetimes (in ps) in the vibrational predissociation of Ne2Br2(B, v′ = 16–23).
Energies (in cm−1) in the vibrational predissociation of Ne2Br2(B, v′) (see text for full details).
Experimental47 and theoretical (this work) branching ratios in the vibrational predissociation of Ne2Br2(B, v′).
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