Proton transfer dynamics ionized

The proton transfer in ionized phenol-water clusters is strongly dependent on the number of water molecules and their specific organization, i.e., the PT is a process assisted by the solvent [72], Most of the theoretical studies of PT in [C6H50H-(H20) ],+ clusters were focused on the structure, vibrational, [79,80,81] and energetic aspects [77,78]. However, much less is known on the dynamics of PT. 

The phenomenon of coherent destruction of tunneling (CDT) was first discovered by Grossmann et al. [16, 48-51], They considered a particle moving in a onedimensional quartic double-well potential driven by a monochromatic laser field and showed numerically that for specific values of the frequency and amplitude of the radiation, the particle is forced to stay in one of the two wells as long as the laser field is on. Since then, this intriguing phenomenon has been the object of further theoretical analysis [17, 18, 52-58], extended in various forms [20, 59-70], and demonstrated experimentally in different physical systems [71-74]. The role of CDT in processes such as the strong field ionization of diatomic molecules [75] or the proton transfer dynamics in tropolone [76] has also been discussed. 

However, careful investigations of the evaporative processes in 1-naphthol-(NH3)n are crucial for understanding the spectroscopy and the dynamics of this system [27]. These evaporation processes are expected to be particularly important since an exothermic reaction occurs in the ionic clusters, even at vertical ionization threshold proton transferred structure is much more favorable in the ion than in the neutral. 

The time evolution of the O—D and D—Ow distances in the ionized clusters is also shown in Figure 5-6 (A-H right panels). In contrast with the neutral system, significant changes of the distances can be observed. These variations describe the occurrence of proton transfer from the phenolic moiety to water and also recombination of the transferred proton with the phenoxy moiety. As expected, the PT dynamics is dependent on the initial configuration. 

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... 

Ionization Dynamics Coulomb EKplosteiT Proton Transfer... 

Alkali metal ion/molecule association reactions have been exploited in various mass spectrometric methods since the early 1970s. Initial studies were to determine metal ion affinities of simple compounds, with use of Fourier transform ion cyclotron resonance (FTICR) mass spectrometers. Alkali ions offer unique and interesting potential in analytical chemistry and studies of chemical dynamics. Consequently, the use of metal ions as reagents for Cl mass spectrometry has been developed. The major advances in the apphcation of MS as a routine analytical instmment using the complex ion/molecule chemistry came arotmd in the past decades. They include atmospheric pressure chemical ionization (APCI), proton transfer reaction mass spectrometry (PTR-MS), selected ion flow tube mass spectrometry (SIFT-MS), ion attachment mass spectrometry (lAMS) and ion molecrtle reaction mass spectrometry (IMM-MS). 

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