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Characterization of in frequency and ultrafast time domains
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10.1063/1.3357728
/content/aip/journal/jcp/132/12/10.1063/1.3357728
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/12/10.1063/1.3357728

Figures

Image of FIG. 1.
FIG. 1.

Upper panel: IR spectrum of a matrix (1:1500) at 8.5 K in the C–F stretching region. Middle panel: Difference spectrum obtained following irradiation of an as-deposited matrix at 355 nm (details in the text). Lower panel: Difference spectrum obtained following irradiation of an as-deposited matrix at 266 nm (details in the text).

Image of FIG. 2.
FIG. 2.

Difference spectrum obtained following annealing of a matrix (1:1500) that was first irradiated at 266 nm. Details are provided in the text.

Image of FIG. 3.
FIG. 3.

Calculated (MP2/Sadlej-pVTZ) potential energy surface of in the region of the minimum. This surface represents a relaxed 2D scan along the C–I–I angle and C–I bond distance.

Image of FIG. 4.
FIG. 4.

Time resolved mid-IR spectra following 350 nm excitation of in . Upper panels: The 1265 and kinetic traces (symbols) superimposed on their best multiexponential fits (lines, convoluted with an instrument response function of 235 fs, FWHM). The fit residuals are also shown. Lower panels: the evolution of transient absorption spectra at selected time delays between UV-pump and IR-probe pulses. Time delays (in picoseconds) are indicated next to the individual spectra. Symbols represent measured data points where lines represent smoothed (3pts, adjacent averaging) data to guide the reader’s eye.

Image of FIG. 5.
FIG. 5.

Panel A. Visible absorption spectrum of in an Ar matrix after irradiation at 355 nm before (symbols) and after (thick line) subtraction of the steady-state absorption of (thin line). The contribution of the species to the total product absorption was obtained by deconvoluting the spectrum into three Gaussian bands (with absorption centered at 519 nm (Ref. 78). Panel B. Transient absorption spectrum measured 1 ns after 350 nm excitation of (50 mM) in (black symbols) is overlapped with the steady-state absorption spectrum of molecular iodine in the same solvent (518 nm maximum, thick blue line). Subtracting the spectrum from the spectrum yields “” product spectrum (open circles), superimposable on the matrix-isolated absorption spectrum of the species in the 430–530 nm range obtained in Panel A. The minor deviation in the red spectral range is due to absorption from excited states.

Tables

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Table I.

Calculated vibrational frequencies for at various levels of theory.

Generic image for table
Table II.

Optimized structural parameters for at various levels of theory.

Generic image for table
Table III.

Calculated vibrational frequencies for at various levels of theory.

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/content/aip/journal/jcp/132/12/10.1063/1.3357728
2010-03-22
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Characterization of iso-CF2I2 in frequency and ultrafast time domains
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/12/10.1063/1.3357728
10.1063/1.3357728
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