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Correlated and product states from formaldehyde photodissociation: Dynamics of molecular elimination
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10.1063/1.2202240
/content/aip/journal/jcp/125/4/10.1063/1.2202240
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/4/10.1063/1.2202240

Figures

Image of FIG. 1.
FIG. 1.

dc sliced images of at (a) , , and at : (b) , (c) , (d) , (e) , and (f) . See Table I for excitation energies.

Image of FIG. 2.
FIG. 2.

product translational energy distributions taken from the images in Fig. 1: (a) , , and at : (b) , (c) , (d) , (e) , and (f) .

Image of FIG. 3.
FIG. 3.

dc sliced images of at : (a) , (b) , (c) , and (d) . See Table I for excitation energies.

Image of FIG. 4.
FIG. 4.

product translational energy distributions taken from the images in Fig. 3: (a) , (b) , (c) , and (d) .

Image of FIG. 5.
FIG. 5.

Normalized -correlated vibrational distributions for all transitions investigated.

Image of FIG. 6.
FIG. 6.

Correlated state plot, vs for photolysis at the transition.

Image of FIG. 7.
FIG. 7.

CO rotational distributions as a function of for photolysis at . Data is taken from Fig. 6. The dotted lines represent zero population for .

Image of FIG. 8.
FIG. 8.

Correlated state plot, vs for photolysis at the transition.

Image of FIG. 9.
FIG. 9.

CO rotational distributions as a function of for photolysis at . Data are taken from Fig. 8. The dotted lines represent zero population for .

Image of FIG. 10.
FIG. 10.

Correlated rotational distributions for (a) , , 36, 45, and 55, (b) , , 45, 55, and (c) , , 35, and 45. The similarity of the distributions indicates the low degree of correlation between and CO rotation.

Image of FIG. 11.
FIG. 11.

Dynamical model for the dissociation of based on density functional theory calculations. (a) The top hydrogen atoms correspond to the geometry for , and subsequent circles are for . The impact parameters, , are listed in Table III. (b) Progression of on the internal reaction coordinate for molecular elimination. Each geometry corresponds to the classical turning point for (left to right). See text for more details.

Tables

Generic image for table
Table I.

Transition assignments and energies for photodissociation.

Generic image for table
Table II.

Relative energies of vibrational and CO rotational transitions. Note that the largest energy difference from CO rotational loss can only excite one quantum of vibration.

Generic image for table
Table III.

Impact parameter, , and expectation value for CO rotational angular quantum number, , determined from calculations and model (see text).

Generic image for table
Table IV.

Comparison of experimental rotational distributions for with data from Debarre et al. (in parentheses) at .

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/content/aip/journal/jcp/125/4/10.1063/1.2202240
2006-07-24
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Correlated vH2 and jCO product states from formaldehyde photodissociation: Dynamics of molecular elimination
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/4/10.1063/1.2202240
10.1063/1.2202240
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