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Photodissociation of phosgene: Theoretical evidence for the ultrafast and synchronous concerted three-body process
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10.1063/1.3253048
/content/aip/journal/jcp/131/16/10.1063/1.3253048
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/16/10.1063/1.3253048

Figures

Image of Scheme 1.
Scheme 1.

Multiple body dissociation process.

Image of FIG. 1.
FIG. 1.

One- and two-dimensional representations of the ground- and excited-state potential energy surfaces, along with the stationary structures (bond length in angstrom, bond angles in degree, and , the Cl–C–O–Cl dihedral angle) and their relative energies [,the red numbers in (a)].

Image of FIG. 2.
FIG. 2.

The C–O and C–Cl distances plotted as a function of time for a representative trajectory with the initial kinetic energy set to zero. The initial part is enlarged in the upper inset.

Image of FIG. 3.
FIG. 3.

The C–O and C–Cl distances plotted as a function of time for a representative trajectory with the initial kinetic energy set to .

Tables

Generic image for table
Table I.

The relative energies for the stationary structures.

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/content/aip/journal/jcp/131/16/10.1063/1.3253048
2009-10-30
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Photodissociation of phosgene: Theoretical evidence for the ultrafast and synchronous concerted three-body process
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/16/10.1063/1.3253048
10.1063/1.3253048
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