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Probing the barrier for by the velocity map imaging method
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Image of FIG. 1.
FIG. 1.

(Color online) (a) Raw image of obtained by dissociating and probing with the same laser pulse at via the transition. (b) Raw image of obtained by dissociating and probing with the same laser pulse at via the transition. Laser polarization is shown by the arrow. Each raw image has a dimension of .

Image of FIG. 2.
FIG. 2.

Total center-of-mass translational energy distributions derived from Fig. 1. The distribution profiles for and are shown in solid and dotted lines, respectively.

Image of FIG. 3.
FIG. 3.

(Color online) Raw images of the fragments obtained at (a) and (b) . An inner distribution appearing in (b) but not in (a) reveals that there is a contribution of fragments from 235 nm photodissociation with the radicals ionized by the photons. Each image has a dimension of .

Image of FIG. 4.
FIG. 4.

Total center-of-mass translational energy distribution for the C–Cl bond fission and the portion of the distribution that results in stable radicals. The total center-of-mass translational energy distribution, obtained from the weighted sum of the individual Cl distributions in Figs. 1(a) and 1(b), is shown in solid line. The dotted-line distribution, corresponding to the photodissociation events that from stable radicals, is derived from Figs. 3(a) and 3(b) after subtraction.


Generic image for table
Table I.

Theoretical and barrier height for (1) in . (The and barrier height calculations correspond to reactions where cis- or trans- is dissociated into linear- and the linear- radical undergoes dissociation to form and CO via the cis- or trans-TS, respectively. The G3//B3LYP results in this table also refer to the linear- radical intermediate for consistency, though the trans conformer is predicted to have the minimum energy at that level of theory. The predicted barrier from the trans conformer is given in Ref. 12.)

Generic image for table
Table II.

Theoretical bond distance (in angstrom) at the trans-TS and cis-TS obtained at different levels of theory.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Probing the barrier for CH2CHCO→CH2CH+CO by the velocity map imaging method