Fourier Transform Spectroscopy of the O2 Herzberg Bands

Jenouvrier, A.; Mérienne, M.-F.; Coquart, B.; Carleer, Michel; Fally, Sophie; Vandaele, Ann Carine; Hermans, Christian; Colin, Réginald

doi:10.1006/jmsp.1999.7950

Cited by 37 publications

(45 citation statements)

References 41 publications

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“…Absorptions of atmospheric oxygen were eliminated using the interpolation approach of Volkamer et al (1998). In brief, saturation of molecular absorption lines of oxygen in the Herzberg I-III bands were modelled in high-resolution using line parameters from , Jenouvrier et al (1999) and Merienne et al (2000Merienne et al ( , 2001 and oxygen column densities of 3.7×10 17 molecules cm −2 and 4.1×10 17 molecules cm −2 to bracket the effect of density variations on oxygen column densities. The collision induced absorption of oxygen in the Wulf bands was fitted using the literature spectra from (Bernath et al (1998).…”

Section: Doasmentioning

confidence: 99%

Comparison of aromatic hydrocarbon measurements made by PTR-MS, DOAS and GC-FID during the MCMA 2003 Field Experiment

et al. 2010

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Abstract.A comparison of aromatic hydrocarbon measurements is reported for the CENICA supersite in the district of Iztapalapa during the Mexico City Metropolitan Area field experiment in April 2003 (MCMA 2003). Data from three different measurement methods were compared: a Proton Transfer Reaction Mass Spectrometer (PTR-MS), long path measurements using a UV Differential Optical Absorption Spectrometer (DOAS), and Gas Chromatography-Flame Ionization analysis (GC-FID) of canister samples. The principle focus was on the comparison between PTR-MS and DOAS data. Lab tests established that the PTR-MS and DOAS calibrations were consistent for a suite of aromatic compounds including benzene, toluene, p-xylene, ethylbenzene, 1,2,4-trimethylbenzene, phenol and styrene. The point sampling measurements by the PTR-MS and GC-FID showed good correlations (r=0.6), and were in reasonable agreement for toluene, C 2 -alkylbenzenes and C 3 -alkylbenzenes. The PTR-MS benzene data were consistently high, indicating interference from ethylbenzene fragmentation for the 145 Td drift field intensity used in the experiment. Correlations between the open-path data measured at 16-m height over a 860-m path length (retroreflector in 430 m distance), and the point measurements collected at 37-m sampling height were best for benzene (r=0.61), and reasonably good for toluene, C 2 -alkylbenzenes, naphthalene, styrene, cresols and phenol (r>0.5). There was good agreement between DOAS and PTR-MS measurements of benzene after correction for the Correspondence to: B. T. Jobson (tjobson@wsu.edu) PTR-MS ethylbenzene interference. Mixing ratios measured by DOAS were on average a factor of 1.7 times greater than the PTR-MS data for toluene, C 2 -alkylbenzenes, naphthalene and styrene. The level of agreement for the toluene data displayed a modest dependence on wind direction, establishing that spatial gradients -horizontal, vertical, or both -in toluene mixing ratios were significant, and up to a factor of 2 despite the fact that all measurements were conducted above roof level. Our analysis highlights a potential problem in defining a VOC sampling strategy that is meaningful for the comparison with photochemical transport models: meaningful measurements require a spatial fetch that is comparable to the grid cell size of models, which is typically a few 10 km 2 . Long-path DOAS measurements inherently average over a larger spatial scale than point measurements. The spatial representativeness can be further increased if observations are conducted outside the surface roughness sublayer, which might require measurements at altitudes as high as 10s of metres above roof level.

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Section: Doasmentioning

confidence: 99%

Comparison of aromatic hydrocarbon measurements made by PTR-MS, DOAS and GC-FID during the MCMA 2003 Field Experiment

et al. 2010

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“…Jenouvrier et al 19 recently remeasured the Herzberg bands with high resolution Fourier transform spectroscopy, identifying perturbations in the A 3 ⌺ u ϩ (vϭ11͒, c 1 ⌺ u Ϫ (vϭ18,19͒, and AЈ 3 ⌬ u,2 (vϭ12͒ Herzberg bands.…”

Section: Introductionmentioning

confidence: 99%

Reassignment of the O2 spectrum just below dissociation threshold based on ab initio calculations

Vroonhoven

Groenenboom

2002

The Journal of Chemical Physics

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Vibrational Herzberg bands of the O 2 molecule just below its first O( 3 P)ϩO( 3 P) dissociation limit are since long-known to be perturbed. Jenouvrier et al. ͓J. Mol. Spectrosc. 198, 136 ͑1999͔͒ assigned the cause of the perturbations to five vibrational levels supported by the shallow minimum in the 1 3 ⌸ u potential energy curve around 5.5a 0 . Using ab initio potential energy curves and spin-orbit couplings from previous work ͓J. Chem. Phys. 116, 1954 ͑2002͔͒ we present a full quantum calculation of all ungerade rotation-vibration-electronic states of oxygen just below the dissociation threshold, through a total angular momentum quantum number of Jϭ19. This calculation shows that the original assignment, based on a Hund's case ͑a͒ model of a regular 1 3 ⌸ u multiplet was not correct. Based on our calculation we present a new assignment of the perturbing states: 1 3 ⌸ u,⍀ϭ2 (vϭ0͒, 1 3 ⌸ u,1 ͑0͒, 1 3 ⌸ u,2 ͑1͒, 1 3 ⌸ u,1 ͑1͒, and 1 3 ⌸ u,0 Ϫ͑0͒ in order of ascending term values. We show the new assignment to be consistent with experimental data and we also propose new spectroscopic parameters for the perturbing states.

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“…It was decided to operate at low resolution (R ϭ 2 cm Ϫ1 ; MOPD ϭ 0.45 cm) because the present study concerns continuous absorptions. The overlapping discrete Herzberg bands will be removed from the low-resolution spectra by using the high-resolution (fully resolved) spectra which were recorded previously (24).…”

Section: Methodsmentioning

confidence: 99%

“…This study, which is part of a complete reinvestigation of the entire O 2 spectrum from the UV to the near-IR (23)(24)(25)(26), is based on low-resolution spectra recorded at atmospheric pressures in the UV region (33 000 -42 000 cm Ϫ1 ). The objective is to subtract the contribution of the discrete Herzberg bands and to determine the intensity of the collision-induced absorption bands up to the dissociation limit.…”

Section: Introductionmentioning

confidence: 99%

“…The objective is to subtract the contribution of the discrete Herzberg bands and to determine the intensity of the collision-induced absorption bands up to the dissociation limit. This will make use of the previous high-resolution rotational analysis of the Herzberg bands carried out by us (24,25). Cross sections for the O 2 -O 2 bands will be provided and the effect of foreign gases (N 2 , Ar) will be presented and interpreted.…”

Section: Introductionmentioning

confidence: 99%

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Fourier Transform Spectroscopy of the O2 Herzberg Bands. III. Absorption Cross Sections of the Collision-Induced Bands and of the Herzberg Continuum

Fally

Vandaele

Carleer

et al. 2000

Journal of Molecular Spectroscopy

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Absorption spectra of molecular oxygen were measured in the laboratory under temperature and pressure conditions prevailing in the Earth's atmosphere. Spectra of pure O 2 , O 2 ϩ N 2 , and O 2 ϩ Ar were recorded in the 41 700 to 33 000 cm Ϫ1 region (240 -300 nm) at a maximal optical path difference of 0.45 cm using a Fourier transform spectrometer and a multiple reflection gas cell. The different components of the spectra, namely the discrete bands of the three Herzberg systems, the Herzberg continuum, and the collision-induced diffuse Wulf bands, were separated. The contribution of the Herzberg bands was first subtracted using the line parameters determined previously [A. Jenouvrier, M.-F. Mérienne, B. Coquart, M. Carleer, S. Fally, A. C. Vandaele, C. Hermans, and R. Colin, J. Mol. Spectrosc. 198, 136 -162 (1999)] from high-resolution data. Spectra recorded at various pressures then made it possible to determine by linear regression the intensity of the Wulf bands and the Herzberg continuum. The characteristics of the Wulf bands have been investigated in details: vibrational analysis, pressure effect, foreign gas effect, and a simulated spectrum are reported. The Herzberg continuum cross section is determined below the dissociation limit. A comparison with literature data is given. The new O 2 absorption cross sections and O 2 -O 2 collision-induced absorption cross sections are useful in connection with atmospheric measurements of ozone and other trace gases in the UV spectral region.

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Fourier Transform Spectroscopy of the O2 Herzberg Bands

Cited by 37 publications

References 41 publications

Comparison of aromatic hydrocarbon measurements made by PTR-MS, DOAS and GC-FID during the MCMA 2003 Field Experiment

Comparison of aromatic hydrocarbon measurements made by PTR-MS, DOAS and GC-FID during the MCMA 2003 Field Experiment

Reassignment of the O2 spectrum just below dissociation threshold based on ab initio calculations

Fourier Transform Spectroscopy of the O2 Herzberg Bands. III. Absorption Cross Sections of the Collision-Induced Bands and of the Herzberg Continuum

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