Cavity ring-down spectroscopy of H218O in the range 16570–17120cm−1 (original) (raw)
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Fourier transform absorption spectra of H217O and H218O in the 8000–9400cm−1 spectral region
Journal of Molecular Spectroscopy, 2006
Fourier transform spectra of water vapor enriched in 18 O and 17 O were recorded between 8012 and 9336 cm À1 and analyzed for the first time. High accuracy ab initio predictions of line positions and intensities by Partridge and Schwenke [J. Chem. Phys. 106 (1997) 4618-4639; 113 (2000) 6592-6597] were used in the process of spectrum assignment. Transitions involving the (031), (111), (130), (210), and (012) upper vibrational states were identified in the recorded spectra. As a result, 514 and 244 precise ro-vibrational energy levels were derived for the H 2 18 O and H 2 17 O molecules, respectively. High-order resonance perturbations between levels of the vibrational states involved were evidenced leading to the identification of a number of rotational levels of the (050) and (060) highly excited bending states.
Cavity-Ring-Down Spectroscopy on Water Vapor in the Range 555–604 nm
Journal of molecular …, 2001
The method of pulsed cavity-ring-down spectroscopy was employed to record the water vapor absorption spectrum in the wavelength range 555-604 nm. The spectrum consists of 1830 lines, calibrated against the iodine standard with an accuracy of 0.01 cm Ϫ1 ; 800 of these lines are not obtained in the HITRAN 96 database, while 243 are not included in the newly recorded Fourier transform spectrum of the Reims group. Of the set of hitherto unobserved lines, 111 could be given an assignment in terms of rovibrational quantum numbers from a comparison with first principles calculations.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2013
This is the third of a series of articles reporting critically evaluated rotationalvibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H 2 16 O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H 2 16 O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H 2 16 O contains two components, an ortho (o) and a para (p) one. For o-H 2 16 O and p-H 2 16 O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H 2 16 O and p-H 2 16 O, respectively. The energy levels, including their labeling with approximate (J. Tennyson). Journal of Quantitative Spectroscopy & Radiative Transfer 117 (2013) 29-58
Identification and simulation of the H2 16 O absorption spectrum in 5750–7965 cm–region
The rotational, centrifugal distortion, and resonance coupling constants as well as dipole moment parameters of six vibrational states, viz., (101), (021), (120), (200), (002), and (040) of the H2 16 O molecule have been determined from the fit to the experimental rotational energy levels and line strengths measured by R.A. Toth [Appl. Opt. 33, 4851(1994)]. Quite satisfactory agreement for the energy levels and intensities have been achieved using the effective rotational Hamiltonian in the Padé-Borel form and taking into account the conventional Coriolis, Fermi, Darling-Dennison, and the high-order resonance couplings. The rms deviation of the fitting is 0.025 cm -1 and 4.86% for 858 energy levels and intensities of 3038 lines, respectively. The calculations made enabled complete assignment of the lines of the experimental spectrum.
Fourier transform measurements of H218O and HD18O in the spectral range 1000–2300cm−1
Journal of Quantitative Spectroscopy and Radiative Transfer, 2012
ABSTRACT The spectra of water vapor enriched by 18O were recorded in the 1000–2300 cm−1 spectral range, which corresponds to the spectral region studied by IASI instrument (Infrared Atmospheric Sounding Spectrometer) instrument. The spectra were recorded by a step by step Fourier Transform Spectrometer (FTS) at room temperature with absorption path lengths up to 36 m. Positions, intensities and self broadening coefficients of about 1800 lines of H218O and 900 of HD18O were analyzed and all the transitions were assigned. This paper focuses on lines intensities and comparisons with data from literature are presented. An average difference of 10% with HITRAN2008 database H218O line intensities is found with a maximum discrepancy of about 25% for the ν1–ν2 band.
Journal of Molecular Spectroscopy, 2009
This paper is devoted to the third part of the analysis of the very weak absorption spectrum of the 18O3 isotopologue of ozone recorded by CW-Cavity Ring Down Spectroscopy between 5930 and 6900cm−1. In the two first parts [A. Campargue, A. Liu, S. Kassi, D. Romanini, M.-R. De Backer-Barilly, A. Barbe, E. Starikova, S.A. Tashkun, Vl.G. Tyuterev, J. Mol. Spectrosc. (2009), doi: 10.1016/j.jms.2009.02.012 and E. Starikova, M.-R. De Backer-Barilly, A. Barbe, Vl.G. Tyuterev, A. Campargue, A.W.Liu, S. Kassi, J. Mol. Spectrosc. (2009) doi: 10.1016/j.jms.2009.03.013], the effective operators approach was used to model the spectrum in the 6200–6400 and 5930–6080cm−1 regions, respectively. The analysis of the whole investigated region is completed by the present investigation of the 6490–6900cm−1 upper range. Three sets of interacting states have been treated separately. The first one falls in the 6490–6700cm−1 region, where 1555 rovibrational transitions were assigned to three A-type bands: 3ν2+5ν3, 5ν1+ν2+ν3 and 2ν1+3ν2+3ν3 and one B-type band: ν1+3ν2+4ν3. The corresponding line positions were reproduced with an rms deviation of 18.4×10−3cm−1 by using an effective Hamiltonian (EH) model involving eight vibrational states coupled by resonance interactions. In the highest spectral region – 6700–6900cm−1 – 389 and 183 transitions have been assigned to the ν1+2ν2+5ν3 and 4ν1+3ν2+ν3 A-type bands, respectively. These very weak bands correspond to the most excited upper vibrational states observed so far in ozone. The line positions of the ν1+2ν2+5ν3 band were reproduced with an rms deviation of 7.3×10−3cm−1 by using an EH involving the {(054), (026), (125)} interacting states. The coupling of the (431) upper state with the (502) dark state was needed to account for the observed line positions of the 4ν1+3ν2+ν3 band (rms=5.7×10−3cm−1).The dipole transition moment parameters were determined for the different observed bands. The obtained set of parameters and the experimentally determined energy levels were used to generate a complete line list provided as Supplementary Materials.The results of the analyses of the whole 5930–6900cm−1 spectral region were gathered and used for a comparison of the band centres to their calculated values. The agreement achieved for both 18O3 and 16O3 (average difference on the order of 1cm−1) indicates that the used potential energy surface provides accurate predictions up to a vibrational excitation approaching 80% of the dissociation energy. The comparison of the 18O3 and 16O3 band intensities is also discussed, opening a field of questions concerning the variation of the dipole moments and resonance intensity borrowing by isotopic substitution.
Journal of Quantitative Spectroscopy & Radiative Transfer, 1999
Fourier transform spectra of O-enriched, O-enriched, and natural water vapor recorded between 9600 and 11 400 cm\ have been analyzed to assign the H O spectral lines. More than 1000 transitions were finally assigned to the H O isotopic species leading to 420 precise experimental energy levels of the (0 0 3), (2 0 1), (1 2 1), (1 0 2), (3 0 0), (2 2 0) vibrational states. Rotational, centrifugal distortion, and resonance coupling parameters have been derived from the fit of the experimental energy levels to an effective Hamiltonian based on Pade´-Borel approximants well suited to describe the large centrifugal distortion in H O. The resulting rms deviation is 0.013 cm\ with 97 varied parameters.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2014
This is the third of a series of articles reporting critically evaluated rotationalvibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H 2 16 O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H 2 16 O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H 2 16 O contains two components, an ortho (o) and a para (p) one. For o-H 2 16 O and p-H 2 16 O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H 2 16 O and p-H 2 16 O, respectively. The energy levels, including their labeling with approximate (J. Tennyson). Journal of Quantitative Spectroscopy & Radiative Transfer 117 (2013) 29-58
Cavity Ring Down Spectroscopy Measurements for High Overtone Vibrational Bands of HC 3 N
The Journal of Physical Chemistry A, 2015
Overtone (5ν 1 and 6ν 1 ) and combination (4ν 1 + ν 3 and 4ν 1 + ν 2 ) vibrational bands of gaseous HC 3 N, located in the visible range (14 600−15 800 and 17 400−18 600 cm −1 ), were investigated by cavity ring-down absorption spectroscopy. The 5ν 1 + ν 3 and 5ν 1 + ν 2 combinations as well as the 6ν 1 + ν 5 − ν 5 hot overtone band have also been identified, on the basis of previous overtone assignments. Absolute integrated intensity values and the ensuing oscillator strengths have been measured here for the first time; f values are typically confined between 4 × 10 −12 and 7 × 10 −11 . For the even weaker 5ν 1 + ν 2 combination band, the oscillator strength was estimated as 9 × 10 −13 . The values concerning CH-stretch overtones (nν 1 ) are similar to those found in the literature for HCN and C 2 H 2 , the molecules with sp-hybridized carbon atoms. Data presented here may prove useful for studying the photochemistry triggered with visible or near-IR radiation within the atmospheres of certain Solar System bodies, including Titan.