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Photoelectron spectroscopy of 1-nitropropane and 1-nitrobutane anions
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10.1063/1.3683250
/content/aip/journal/jcp/136/6/10.1063/1.3683250
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/6/10.1063/1.3683250
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Photoelectron spectrum of 1-NP anion obtained at a photon energy of 2.331 eV.

Image of FIG. 2.
FIG. 2.

Photoelectron spectra of 1-NP anion taken at photon energies of 393 meV (3170 cm−1), 368 meV (2968 cm−1), 329 meV (2650 cm−1), and 273 meV (2200 cm−1), from top to bottom. The data on the left are plotted as functions of binding energy while the data on the right are shown as functions of kinetic energy. The labels A and B denote two features that are consistently observed at the same binding energy. The label F denotes a prominent feature found at a fixed kinetic energy in the spectra taken at photon energies of 329 meV (2650 cm−1) and 368 meV (2968 cm−1). The dotted lines in the spectra on the left show the positions of features A and B; the dotted line in the spectrum on the right shows the position of feature F (see text).

Image of FIG. 3.
FIG. 3.

Photoelectron spectra of CH3(CH2)2NO2 (upper curve) and CH3(CH2)2NO2 ·Ar (lower curve) taken at a photon energy of 393 meV. The arrows represent the shift of the spectrum by (56 ± 7) meV upon argon solvation.

Image of FIG. 4.
FIG. 4.

Photoelectron spectra of 1-NB anion, obtained at a photon energy of 2.331 eV.

Image of FIG. 5.
FIG. 5.

Photoelectron spectra of 1-NB anion at photon energies of 444 meV (3580 cm−1), 424 meV (3420 cm−1), 404 meV (3260 cm−1), 384 meV (3100 cm−1), and 329 meV (2650 cm−1), from top to bottom. The data on the left are presented as a function of binding energy while the data on the right are shown as a function of kinetic energy. The labels A and B denote two features that are consistently observed at the same binding energy. The label F denotes a prominent feature found at a fixed kinetic energy in the spectra. The dotted lines in the spectra on the left show the positions of features A and B; the dotted line in the spectrum on the right shows the position of feature F (see text).

Image of FIG. 6.
FIG. 6.

The photoelectron spectrum of bare 1-NB anion (top curve) and argon-solvated 1-NB anion (bottom curve), taken at a photon energy of 384 meV. The arrow represents the shift of the 0 ← 0 band upon Ar solvation. Features are labeled as in Figure 5.

Image of FIG. 7.
FIG. 7.

The Franck-Condon simulations of conformers I and II of 1-NP anion, using an anion temperature of 250 K. An inset in each graph illustrates the 1-NP anion conformer along with its relative energy. The open circles, solid lines, and vertical bars represent the experimental spectrum, simulated curve, and the individual calculated transitions, respectively.

Image of FIG. 8.
FIG. 8.

The Franck-Condon simulations of conformers i-iii of 1-NB anion, using an anion temperature of 250 K. An inset in each graph illustrates the 1-NB anion conformer along with its relative energy. The open circles, solid lines, and vertical bars represent the experimental spectrum, simulated curve, and the individual calculated transitions, respectively.

Image of FIG. 9.
FIG. 9.

Average anisotropy parameter as a function of kinetic energy for the four mid-IR PE images of 1-NP anion (top) and 1-NB anion (bottom). The minimum in β (dashed line) is located at a kinetic energy of (166 ± 5) meV in the case of 1-NP and at (167 ± 5) meV in the case of 1-NB.

Image of FIG. 10.
FIG. 10.

Model to explain the anomalous feature observed in the PE spectra of 1-NP and 1-NB; X = anion ground state; X0 = neutral ground state; hν(IR) = infrared photon energy; ℏω(VFR) = energy of vibration giving rise to the VFR; E B (DBS) = binding energy of the DBS; E K = ℏω(VFR)– E B (DBS) = kinetic energy of electrons in anomalous feature.

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/content/aip/journal/jcp/136/6/10.1063/1.3683250
2012-02-14
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Photoelectron spectroscopy of 1-nitropropane and 1-nitrobutane anions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/6/10.1063/1.3683250
10.1063/1.3683250
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