Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Parity-based predictions

Where the Disjoint and Parity-Based Predictions Differ. 192... [Pg.166]

WHERE THE DISJOINT AND PARITY-BASED PREDICTIONS DIFFER... [Pg.192]

A summary of the symmetry analysis for the various isotopomers is presented in Table 5 where, in keeping with the conclusions of the general analysis, only ground vibrational states of the reactants are considered. Inspection of Table 5 indicates that isotopic substitution that preserves the CO2 centrosymmetry lifts the restriction based on I while preserving the restriction based on the e parity label state. Because C substitution will always preserve molecular centrosymmetry, the symmetry analysis predicts that ( 02)2 clusters containing a C isotope could show at most a formation-rate enhancement of a factor of two above that of (002)2- Also, because this symmetry restriction is independent of the detailed nature of the quantum states of the COj ions, the C SIKIE is predicted to be independent of the way in which the ion is prepared (i.e., E. Conversely, Table 5 indicates that when the COj centrosymmetry is removed, there are no symmetry restrictions to cluster formation. The extent to which the formation of (002)2 containing a ion will be enhanced above that of ( 62)2 depends on the e/f parity label state distribution of the CO2 ions, which, as was demonstrated in the O2/O2 study,can depend on E. ... [Pg.182]

Two important conclusions can be drawn from the simunary of the symmetry analysis of Ar/CO collisions in Table 6. First, no SIKIE is predicted for C substitution because the symmetry of the system is independent of the isotope of carbon involved. Second, because the predicted a based symmetry restrictions for Ar COj cluster formation are identical to those predicted for (002)2, dependence of the magnitude of observed 0 SIKIE on the conditions of CO2 formation is expected. However, the e/f parity label state propensities for El-produced COJ, inferred from 0 SIKIE in (COj) formation, are not sufficient to predict the magnitude of 0 SIKIE in Ar-COj formation because, for above the threshold for Ar formation, COj ions are also produced by the charge-transfer reaction,... [Pg.186]

Scheme 3 Example applications of spin parity to alternant non-Kekule hydrocarbons. All of these are predicted triplet ground states by Hund s law-based models such as that of Longuet-Higgins.65. Scheme 3 Example applications of spin parity to alternant non-Kekule hydrocarbons. All of these are predicted triplet ground states by Hund s law-based models such as that of Longuet-Higgins.65.
According to Chang (1978), a photoionization transition that originates from a E+-state and terminates in a E+ ion-state is parity favored. In contrast, a photoionization transition from a E-state to a II ion-state comprises a mixture of parity favored and parity unfavored transitions. Consequently, the /3-values for photoionization to a II ion-state are intermediate between the extreme values of —1 and 2. See Table 1 of Hancock and Samson (1976) for experimental illustration of predictions for / based on jt and -Kt. [Pg.597]


See other pages where Parity-based predictions is mentioned: [Pg.111]    [Pg.113]    [Pg.113]    [Pg.177]    [Pg.278]    [Pg.182]    [Pg.186]    [Pg.146]    [Pg.34]    [Pg.340]    [Pg.109]    [Pg.112]    [Pg.450]    [Pg.386]    [Pg.193]    [Pg.184]    [Pg.177]    [Pg.265]    [Pg.152]    [Pg.158]    [Pg.353]    [Pg.129]    [Pg.7]    [Pg.2806]    [Pg.70]   


SEARCH



Parity

© 2024 chempedia.info