Vibrational production

Consider a model PES for a collinear reaction, A + BC — AB + C, on which a typical reactive trajectory has been shown (Fig. 9.25). The motion along rAB would correspond to reactant translation/product vibrational and similarly motion along rBC would correspond to reactant vibration/product translation. 

Figure 18. Vibrational product state distribution of O2 following the dissociation of HO2, both quantum and classical, together with the predictions of PST. (Reprinted, with permission of the American Institute of Physics, from Ref. 37.)...

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Vibrational product state distributions have been obtained for reactions studied in crossed molecular beams using the technique of beam electric resonance spectroscopy [109]. This method uses the focusing action of electric quadrupole and dipole fields to measure the radio frequency Stark spectrum of the reaction products, which must possess a dipole moment. This has restricted this technique to reactions producing alkali halides. 

Energy disposal has been studied for the reactions F + IC1 [553] and I2 [554, 555] using laser-induced fluorescence detection of the IF product. For F + IC1, the results indicate a direct reaction with the IF vibrational product distribution being inverted with a peak at v — 7. As with the Cl and Br atom reactions, the majority of the reaction energy appears as IF internal energy ( 0.14). For F + I2, the IF product vibrational state distribution appears to be bimodal [554] with peak at v = 0 and a secondary peak at v = 18 with the distribution extending up to the limit imposed by the reaction exoergicity. Trajectory... 

Table 1 Calculated (Ref. 375) and measured (Ref. 312) relative populations of the vibrational product states of CO and H2 following the dissociation of H2CO...

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The chapter focuses on the ultrafast ESIPT found in molecules containing an H-chelate ring (see Fig. 11.1). We will discuss the spectral features associated with the ESIPT which are observed in experiments with a time resolution down to 30 fs. They are interpreted in terms of a wavepacket motion on an adiabatic potential energy surface connecting the Franck-Condon region of the enol-form with the minimum of the electronically excited keto configuration. The reaction coordinate is reconstructed from the coherently excited vibrational product modes observed in the experiment. Strong evidence is provided that skeletal modes deter-... 

Figure 12 VADW vibrational product distribution for H+F2( v=0. j=0) on a LEPS surface at Etr = 0. 106 eV plotted against vibrational energy. The quasiclassicai (QC) and experimental results are for thermal reactants at T = 300 K,...

Fig. 10 shows the effect of different bond lengths on the vibrational product state distribution. In the stable ABC molecule the AB bond leggth (vq) is assumed to be smaller than in the isolated AB molecule (r ). The wavefunction vi>, describing the vibration of AB in the stable ABC molecule, is shown in the upper part. The wavefunctions v>, describing the free motion of AB, are plotted in the lower part for different v. The overlap for different v represents the probability for the formation of AB in different vibrational states v. Because there is only overlap with states for v larger than 2, high vibrational excitation results in AB. 

HCl H2O + Cl and OH + HBr H2O + Br. This form of the RBA is state-selective in the local OH-stretching and bending vibrations of H2O, and the rotational states of OH. The results give insight into the effect of rotational states on the vibrational product distributions of these atmospherically important reactions and also provide a new explanation of the strong negative temperature dependence observed in the rate constant for the OH+HBr reaction. 

TABLE 1. Rotational excitation of individual vibrational product states. To a good approximation was obtained from a fit of a "rotational temperature" T r(v) to rotationally resolved spectra. 

Fig. lb shows the corresponding IF(B) vibrational product state distribution. 

FIGURE lb. The IF(B) vibrational product state distribution in agreement with results of Whitehead et al. for a low-pressure I2/F2 flame confirms the wo of Kahler and Lee [2]. 

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