The ozone molecule: electronic spectroscopy
Identifieur interne : 000A09 ( Istex/Corpus ); précédent : 000A08; suivant : 000A10The ozone molecule: electronic spectroscopy
Auteurs : R. Bacis ; A. J. Bouvier ; J. M. FlaudSource :
- Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [ 1386-1425 ] ; 1998.
Url:
DOI: 10.1016/S1386-1425(97)00259-X
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<notesStmt><note type="content">Section title: Review</note>
<note type="content">Fig. 1: (a)Part of the 200 absorption bands of the 3A2←X1A1 Wulf transition. Resolution 0.020 cm−1, l=100 m, T=−51.5°C, p=20 Torr, recording time 35 h [11c]. For every branch the subscript number corresponds to X1A1J″ assignment. (b) Branches in the 3A2←X1A1 transition, case b; ΔK=K′−K″=0, where K stands for Ka, as O3 is a prolate symmetric top.</note>
<note type="content">Fig. 2: 3B2(0,0,0)←X1A1(0,0,0) absorption band. This band is located on the red side of the 3A2←X1A1(202) band (see Fig. 3). Resolution 0.05 cm−1, l=100 m, T=−51°C, p=52 Torr, recording time 30 h. The insert shows the simulation of the 3B2←X1A1 band with r and θ values close to ab inito determinations (Fig. 1) and using the transition moments calculated by Minaev et al. [31].</note>
<note type="content">Fig. 3: Absolute cross-sections for the Wulf and Chappuis systems of ozone at 298 K from Ref. [9]. The labels correspond to bands of the 3A2←X1A1 transition (see Table 3). Dashed line on the blue side [43]resolution 0. 2 nm. Full line (with black circles) [42]resolution 2.3 nm (5 points from He–Ne laser wavelengths). Dotted and full lines with open circles [30, 41, 9]resolution 3.1 nm. The cross-sections of the 201 and 200 band strongly depend on the resolution and temperature [11c]. In the Wulf bands at high resolution and 298 K, the cross-section of the peaks (202,203,…) are not significantly changed but the first lower minima marked by open circles are slightly decreased: σ (933 nm) by ∼−25%, σ (889) by ∼−10%, σ (877) by ∼−3%.</note>
<note type="content">Fig. 4: Vibrational structure of the Huggins system from Ref. [38](lower spectrum) compared to the absorption cross sections of ozone between 315 and 320 nm at different temepratures from Ref. [66]. The assignments are from Joens [51]. They correspond to vibrational quantum numbers v1′, v2′, v3′. The lower level is the grond state with v1″=0, v2″=0, v3″=0.</note>
<note type="content">Table 1: Some recent representative theoretical data on the ground and low-lying excited states of ozone in C2v symmetry, except the last lines in Cs symmetry (Ref. [7])</note>
<note type="content">Table 2: Some recent experimental data on low-lying excited electronic states of ozone</note>
<note type="content">Table 3: Locations (cm−1) of vibronic peaks for 16O3 and 18O3 in the near-IR and visible systems (from [9])</note>
<note type="content">Table 4: Location of the triplet origins with respect to O3 dissociation limits (cm−1)</note>
<note type="content">Table 5: Ozone absorption cross sections at room temperature near the maximum of the Chappuis bands at five He–Ne laser wavelengths from Ref. [42]</note>
<note type="content">Table 6: Cross-section values at 228 K and fixed wavelengths closed to absorption peaks in the Huggins bands (×10−21 cm2 mol−1)</note>
<note type="content">Table 7: Absolute cross-sections of ozone at 253.65 nm and temperature dependence from Malicet et al. [79]and Barnes and Mauersberger [84]</note>
<note type="content">Table 8: Calculated vertical ionization potentials (meV) for ozone obtained from various ab initio calculations</note>
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<note type="content">Section title: Review</note>
<note type="content">Fig. 1: (a)Part of the 200 absorption bands of the 3A2←X1A1 Wulf transition. Resolution 0.020 cm−1, l=100 m, T=−51.5°C, p=20 Torr, recording time 35 h [11c]. For every branch the subscript number corresponds to X1A1J″ assignment. (b) Branches in the 3A2←X1A1 transition, case b; ΔK=K′−K″=0, where K stands for Ka, as O3 is a prolate symmetric top.</note>
<note type="content">Fig. 2: 3B2(0,0,0)←X1A1(0,0,0) absorption band. This band is located on the red side of the 3A2←X1A1(202) band (see Fig. 3). Resolution 0.05 cm−1, l=100 m, T=−51°C, p=52 Torr, recording time 30 h. The insert shows the simulation of the 3B2←X1A1 band with r and θ values close to ab inito determinations (Fig. 1) and using the transition moments calculated by Minaev et al. [31].</note>
<note type="content">Fig. 3: Absolute cross-sections for the Wulf and Chappuis systems of ozone at 298 K from Ref. [9]. The labels correspond to bands of the 3A2←X1A1 transition (see Table 3). Dashed line on the blue side [43]resolution 0. 2 nm. Full line (with black circles) [42]resolution 2.3 nm (5 points from He–Ne laser wavelengths). Dotted and full lines with open circles [30, 41, 9]resolution 3.1 nm. The cross-sections of the 201 and 200 band strongly depend on the resolution and temperature [11c]. In the Wulf bands at high resolution and 298 K, the cross-section of the peaks (202,203,…) are not significantly changed but the first lower minima marked by open circles are slightly decreased: σ (933 nm) by ∼−25%, σ (889) by ∼−10%, σ (877) by ∼−3%.</note>
<note type="content">Fig. 4: Vibrational structure of the Huggins system from Ref. [38](lower spectrum) compared to the absorption cross sections of ozone between 315 and 320 nm at different temepratures from Ref. [66]. The assignments are from Joens [51]. They correspond to vibrational quantum numbers v1′, v2′, v3′. The lower level is the grond state with v1″=0, v2″=0, v3″=0.</note>
<note type="content">Table 1: Some recent representative theoretical data on the ground and low-lying excited states of ozone in C2v symmetry, except the last lines in Cs symmetry (Ref. [7])</note>
<note type="content">Table 2: Some recent experimental data on low-lying excited electronic states of ozone</note>
<note type="content">Table 3: Locations (cm−1) of vibronic peaks for 16O3 and 18O3 in the near-IR and visible systems (from [9])</note>
<note type="content">Table 4: Location of the triplet origins with respect to O3 dissociation limits (cm−1)</note>
<note type="content">Table 5: Ozone absorption cross sections at room temperature near the maximum of the Chappuis bands at five He–Ne laser wavelengths from Ref. [42]</note>
<note type="content">Table 6: Cross-section values at 228 K and fixed wavelengths closed to absorption peaks in the Huggins bands (×10−21 cm2 mol−1)</note>
<note type="content">Table 7: Absolute cross-sections of ozone at 253.65 nm and temperature dependence from Malicet et al. [79]and Barnes and Mauersberger [84]</note>
<note type="content">Table 8: Calculated vertical ionization potentials (meV) for ozone obtained from various ab initio calculations</note>
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