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EPR and IR spectra of the radical revisited: Strong vibronic interactions in the electronic ground state
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10.1063/1.2831511
/content/aip/journal/jcp/128/8/10.1063/1.2831511
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/8/10.1063/1.2831511

Figures

Image of FIG. 1.
FIG. 1.

Simulated (trace A) and experimental -band EPR spectra obtained from the pyrolysis products of isolated in solid Ar at (trace B) and (trace C). Signals of radical impurities are marked by asterisks.

Image of FIG. 2.
FIG. 2.

Part of the IR spectra of the pyrolysis product of isolated in solid Ar around (right) and (left) using 64% enriched (trace A), natural (trace B), and 95% enriched (trace C). The band due to is marked by an asterisk.

Image of FIG. 3.
FIG. 3.

Part of the IR spectra of the pyrolysis product of isolated in solid Ar around 828, 520, and using 64% enriched (trace A), natural (trace B), and 95% enriched (trace C). Bands arising due to (▾), (*), and (▿) are indicated.

Image of FIG. 4.
FIG. 4.

Part of the IR spectra of the pyrolysis product of isolated in solid Ar around (right) and (left) using 64% enriched (trace A), natural (trace B), and 95% enriched (trace C).

Image of FIG. 5.
FIG. 5.

Part of the IR spectra of the pyrolysis product of isolated in solid Ar around (right) and (left) using 64% enriched (trace A), natural (trace B), and 95% enriched (trace C).

Tables

Generic image for table
Table I.

Experimental and calculated principal values and hyperfine coupling constants of the radical.

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Table II.

Band positions (most intensive matrix site) and relative intensities of matrix isolated thermolysis products of .

Generic image for table
Table III.

Symmetry coordinates, symmetry force constants, experimental and calculated and isotopic shifts of the total symmetric fundamentals of various isotopic species of relative to the fundamental wave numbers of observed in solid argon (most intensive matrix sites).

Generic image for table
Table IV.

Experimental and calculated fundamental wave numbers and band intensities of the radical.

Generic image for table
Table V.

Experimental and calculated isotopic shifts for various isotopic species of relative to the fundamental wavenumbers of observed in solid argon (most intensive matrix sites). Calculated isotopic shifts on the level of theory in parentheses.

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/content/aip/journal/jcp/128/8/10.1063/1.2831511
2008-02-25
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: EPR and IR spectra of the FSO3 radical revisited: Strong vibronic interactions in the A22 electronic ground state
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/8/10.1063/1.2831511
10.1063/1.2831511
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