Predissociation in van der Waals molecules (original) (raw)
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Effect of quasiresonant dynamics on the predissociation of van der Waals molecules
Physical Review A, 2001
Rotational and vibrational distributions of zero-temperature collisional rate coefficients for atom-diatom scattering are used together with effective range theory to obtain lifetimes for predissociation. High-order indirect potential coupling in the quantum-mechanical calculation is interpreted using a simple classical picture that describes the quasiresonant dynamics of atom-diatom collisions by the conservation of classical action. The importance of closed channel thresholds in determining the structure of the distributions and the balance between momentum gap and near-resonant effects is discussed.
Chemical Physics Letters, 2008
A detailed application of the Gaussian-weighted trajectory method to the photodissociation of the Rg� � �Br 2 (Rg = He, Ne, Ar) van der Waals triatomics is presented. In agreement with previous applications on molecular collisions, the approach significantly enhances the quasi-classical predictions of product state distributions with respect to those obtained with the Standard Binning procedure, especially near a vibrational channel closing. The different molecules studied shed light on the sort of improvement to expect for various densities of vibrational quantum-states involved in the fragmentation process. Extension to larger polyatomic molecules, its possible difficulties and solutions are briefly sketched.
Intermolecular V---V transfer in the vibrational predissociation of some van der Waals dimers
Chem Phys Lett, 1979
We explore the consequences of intermolecular vibrational energy transfer in the vibrational predissociation (VP) of linear AB…CD van der Waals dimers. On the basis of our energy gap law for VP, which are supported by numerical model calculations, we demonstrate the efficiency of the V → V + T process, which will be amenable to experimental observation.
Vibrational predissociation of the van der Waals molecule (N2O)2
Chemical Physics, 1980
The lifetimes for predissociation of the vibrntionally excited van dcr Waals molecule (N20)2 are calculated through different possible processes and compared with the values obtained experimentally. It is found that the V-V channel is the most efficient for predissociation of the dimer and that the transfer occurs through a dipole-dipole coupling mechanism.
Journal of Chemical Physics, 1990
We present an approximate quantal model to study the double continuum problem arising in the complete fragmentation of X," BC(v)'" Y van der Waals(vdW) complexes, where BC is a conventional diatomic molecule vibrationally excited and X and Yare rare gas atoms, through vibrational predissociation (VP). Assuming a near equilibrium geometry of the complex and using an adiabatic approximation for describing the oscillation in the angle formed by the BC' .. X and BC' .. Y weak bonds, the rates for complete fragmentation are expressed in the frame of Fermi's "Golden Rule". Double continuum wave functions may be obtained by a perturbative treatment that allows one to take properly into account the symmetry of the problem in the particular and very frequent case X=Y.