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Direct observation and reactions of radical
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10.1063/1.2217440
/content/aip/journal/jcp/125/13/10.1063/1.2217440
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/13/10.1063/1.2217440

Figures

Image of FIG. 1.
FIG. 1.

Absorption spectrum obtained from the irradiation of at , total pressure of diluent, and after photolysis.

Image of FIG. 2.
FIG. 2.

A typical decay time profile of the absorption intensity of at at and total pressure of diluent. The inset shows the semilogarithm plots. . The solid line is a simulation result. See text for details.

Image of FIG. 3.
FIG. 3.

Photolysis laser intensity dependence of the absorption of at and total pressure of diluent. and after photolysis.

Image of FIG. 4.
FIG. 4.

Absorption intensities of at and after photolysis as a function of at and total pressure of diluent. The solid curve is a best fit of Eq. (6). Squares are the results of simulation for reactions (1a), (1b), and (2). See text for details.

Image of FIG. 5.
FIG. 5.

Pressure effect of on formation of at and after photolysis. Concentration of is . The solid curves are fitting results with (thick) and (thin) for the linear structure. (dot) and (dash) for the bent structure. See text for details of simulation.

Image of FIG. 6.
FIG. 6.

Temperature dependence of the relative absorption intensities at 1160, 1200, and , normalized to the absorption intensity at . total pressure of diluent. .

Image of FIG. 7.
FIG. 7.

Decay profiles of with of (circle) or without (square) at and total pressure of diluent. The concentration of was .

Image of FIG. 8.
FIG. 8.

Temperature dependence of the equilibrium constants ( in ) calculated at the and levels of theory.

Tables

Generic image for table
Table I.

Relative buffer gas effects on the absorption intensity of at and .

Generic image for table
Table II.

Optimized parameters of calculated at the MP4SDQ/6–311 level. Bond lengths and angles are in angstroms and in degrees, respectively.

Generic image for table
Table III.

Harmonic vibrational frequencies of (in ) and zero-point energies (ZPEs in kcal/mol) calculated at the level.

Generic image for table
Table IV.

Reactions used for simulations at and total pressure of diluent.

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/content/aip/journal/jcp/125/13/10.1063/1.2217440
2006-10-04
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Direct observation and reactions of Cl3 radical
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/13/10.1063/1.2217440
10.1063/1.2217440
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