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Photodissociation dynamics of nitrobenzene and -nitrotoluene
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10.1063/1.2435351
/content/aip/journal/jcp/126/6/10.1063/1.2435351
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/6/10.1063/1.2435351

Figures

Image of FIG. 1.
FIG. 1.

Photofragment ion images from the photodissociation of nitrobenzene at . The VUV wavelength is .

Image of FIG. 2.
FIG. 2.

Photofragment translational energy distribution of nitrobenzene at . (a) and (b) .

Image of FIG. 3.
FIG. 3.

Photofragment ion images from the photodissociation of nitrobenzene at . The VUV wavelength is .

Image of FIG. 4.
FIG. 4.

Photofragment translational energy distribution of nitrobenzene at . (a) , (b) , and (c) .

Image of FIG. 5.
FIG. 5.

Photofragment ion images from the photodissociation of nitrobenzene at . The VUV wavelength is .

Image of FIG. 6.
FIG. 6.

Photofragment translational energy distribution of nitrobenzene at . (a) and (b) .

Image of FIG. 7.
FIG. 7.

Fragment ion intensity changes with respect to the delay time between pump and probe laser pulses. The photolysis wavelength is ; the VUV laser is . Solid squares are the experimental data; solid lines are the fit to .

Image of FIG. 8.
FIG. 8.

Photofragment ion images from the photodissociation of -nitrotoluene at . The VUV wavelength is .

Image of FIG. 9.
FIG. 9.

Photofragment ion images from the photodissociation of -nitrotoluene at . The VUV wavelength is .

Image of FIG. 10.
FIG. 10.

Photofragment translational energy distribution of -nitrotoluene at . (a) , (b) , and (c) .

Image of FIG. 11.
FIG. 11.

Photofragment ion images from the photodissociation of -nitrotoluene at . The VUV wavelength is for (a)–(e) and for (f).

Image of FIG. 12.
FIG. 12.

Photofragment translational energy distribution of -nitrotoluene at . (a) , (b) , and (c) .

Image of FIG. 13.
FIG. 13.

Fragment ion intensity changes with respect to the delay time between pump and probe laser pulses. The photolysis wavelength is ; the VUV laser is for (a)–(c) and for (d) and (e). Solid squares are the experimental data. Solid lines are the fit to .

Image of FIG. 14.
FIG. 14.

Simplified potential energy surface for various dissociation channels, where energy units are in kcal/mol. For the details of structures, please see Ref. 9.

Image of FIG. 15.
FIG. 15.

Simplified potential energy surface for various dissociation channels, where energy units are in kcal/mol. For the details of structures, please see Ref. 10.

Image of FIG. 16.
FIG. 16.

Schematic energy diagram of nitrobenzene for the primary dissociation reactions of at the level, where energy units are in kcal/mol.

Tables

Generic image for table
Table I.

Relative energy of at the level, vertical excitation energies of and excited states in and oscillator strengths of nitrobenzene (NB) and -nitrotoluene (-NT) estimated by TD-DFT at the level.

Generic image for table
Table II.

Calculated dissociation rates and lifetimes of photodissociation of nitrobenzene (NB), triplet nitrobenzene (T-NB), and -nitrotoluene (-NT) via different pathways.

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/content/aip/journal/jcp/126/6/10.1063/1.2435351
2007-02-12
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Photodissociation dynamics of nitrobenzene and o-nitrotoluene
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/6/10.1063/1.2435351
10.1063/1.2435351
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