Ionization dynamics

Studying the formation of cluster ions and their ensuing ionization dynamics provides methods of ascertaining their thermodynamical properties, and in favorable cases, evidence of structures and the origins of magic numbers which appear in cluster distributions. 

H. Tachikawa, Ionization dynamics of the benzene-HF complex A direct ab initio dynamics study. J. Phys. Chem. A 103, 6873-6879 (1999)... 

Naturally, since this expression is for a property measured in the reference frame connected to the molecule, molecular rotations do not appear in this expression. The range of L in the summation Eq. (53) is 0... 2/m ix, and includes both odd and even values. In general, the MF PAD is far more anisotropic than the LF PAD, for which L = 0,2,4 in a two-photon linearly polarized pump-probe experiment in the perturbative limit. Clearly, the MF PAD contains far more detailed information than the LF PAD concerning the ionization dynamics of the molecule, as well as the structure and symmetry of the electronic state from which ionization occurs, since the partial waves that may interfere are no longer geometrically limited as they are for the LF PAD. The contributing MF ionization transition dipole components are determined by the laser polarization... 

In closing this section, we note that although the Koopmans picture is a simplification of the ionization dynamics, it provides a very useful zeroth order picture from which to consider the TRPES results. Any potential failure of this independent electron picture can always be experimentally tested directly through variation of the photoionization laser frequency resonance structures should lead to variations in the form of the spectra with electron kinetic energy, although the effect of resonances is more likely to be prominent in PAD measurements, and indeed an observation of a shape resonance in p-difluorobenzene has been reported [153, 154]. 

X 10 W/cm, just where the resonance occurs. A second indication that the excited states are playing an important role in the ionization dynamics is that the overall dependence of the rate on intensity is very close to rather than / as one would expect from perturbation theory for non-resonant ionization. We note that all the xenon excited states are more than five photons above the ground state, so the weaker than expected intensity dependence is not simply attributable to resonances of that order. 

We have shown PFG-NMR-derived diffusion coefficients can be used to calculate molar conductivity and compared with impedance measurements to understand ionicity. In a somewhat reversed experiment, diffusion coefficients measured electrochemicaUy have been compared to PFG-NMR self-diffusion coefficients to investigate proton transfer in protic ILs [19]. Aside from probing ionization dynamics in ILs, PFG-NMR has also been used for probing aggregation as shown in Fig. 5, especially for... 

Y. Mao, K. Damodaran, Ionization dynamics in ionic liquids probed via self-diffusion coefficient measurements, Chem. Phys. 440 (2014) 87-93. 

Ionization Dynamics Coulomb EKplosteiT Proton Transfer... 

Parker D, Eppink A. (1997) Photoelectron and photofragment velocity map imaging of state-selected molecular oxygen dissociation/ionization dynamics. J. Chem. Phys. 107 2357-2362. 

From the ZEKE spectra of hydrogen halides, the rotational-state distribution of the product ion provides a direct measure of the angular momentum of the outgoing electron this is a sensitive probe of ionization dynamics. Autoionization occurs very readily in these molecules, via rotational, vibrational and electronic pathways, and is often evident in the spectra recorded. A further motivation in much of the... 

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