Journal of Quantitative Spectroscopy and Radiative Transfer, 2014
This paper is the fourth of a series of papers reporting critically evaluated rotationalvibration... more This paper is the fourth of a series of papers reporting critically evaluated rotationalvibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This paper presents energy level and transition data for the following doubly and triply substituted isotopologues of water: D 2 16 O, D 2 17 O, and D 2 18 O. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-14 016, 0-7969, and 0-9108 cm À 1 for D 2 16 O, D 2 17 O, and D 2 18 O, respectively. For D 2 16 O, D 2 17 O, and D 2 18 O, 53 534, 600, and 12 167 lines are considered, respectively, from spectra recorded in absorption at room temperature and in emission at elevated temperatures. The number of validated energy levels is 12 269, 338, and 3351 for D 2 16 O, D 2 17 O, and D 2 18 O, respectively. The energy levels have been checked against the ones determined, with an average accuracy of about 0.03 cm À 1 , from variational rovibrational computations employing exact kinetic energy operators and an accurate potential energy surface. Furthermore, the rovibrational labels of the energy levels have been validated by Contents lists available at ScienceDirect
Les textes repris dans ces actes sont ceux qui ont été présentés le 18 mai 2015. Ils sont publiés... more Les textes repris dans ces actes sont ceux qui ont été présentés le 18 mai 2015. Ils sont publiés tels que les auteurs les ont transmis. Les actes sont publiés en libre accès par le comité scientifique du colloque (voir page 4). Cette oeuvre est sous licence Creative Commons. Vous êtes libre de reproduire, de modifier, de distribuer et de communiquer cette création au public à la condition de citer le nom de l'auteur original de la manière indiquée par l'auteur de l'oeuvre ou le titulaire des droits qui vous confère cette autorisation (mais pas d'une manière qui suggérerait qu'ils vous soutiennent ou approuvent votre utilisation de l'oeuvre). Le texte de la licence peut être consulté à l'adresse : http://creativecommons.org/licenses/by/4.0/deed.fr Rien dans cette licence ne diminue ou ne restreint le droit moral de l'auteur. Le comité scientifique remercie : 1 #ILIB15 Comptes rendus du colloque du 18 mai 2015 Avant-propos Ce 18 mai, le colloque « Former aux compétences informationnelles à l'heure du Web 2.0 et des discovery tools » a rassemblé près de 250 personnes dans le cadre exceptionnel de la ferme abbatiale de Gembloux Agro-Bio Tech, la faculté des sciences agronomiques de l'Université de Liège (Belgique). Le public était majoritairement belge, mais une trentaine de bibliothécaires français ont également participé à la journée. Deux orateurs québécois faisaient aussi partie du public. Le monde de l'information se transforme en profondeur au rythme des avancées technologiques, mais aussi des évolutions dans la façon de produire, diffuser, collecter, traiter l'information. On ne cherche plus, on ne s'approprie plus, on ne diffuse plus l'information aujourd'hui comme on le faisait il y a moins de 10 ans encore. Peut-on dès lors continuer à former aux compétences informationnelles comme auparavant ? C'est pour tenter de répondre à cette question que ce colloque a été organisé : faire un état de la question et dessiner les perspectives actuelles et futures de la formation aux compétences informationnelles à l'heure où le monde de l'information et celui des bibliothèques connaissent des évolutions majeures. Outre un état de la question et une mise en perspective, le colloque du 18 mai 2015 avait pour ambition de produire des recommandations et des pistes concrètes pouvant être directement utiles aux formateurs. Pour ce faire, le colloque était organisé autour de quatre conférences, de cinq ateliers et d'une exposition de posters. Les conférences et l'exposition de posters avaient pour objectif de susciter réflexions et échanges. Les ateliers devaient permettre de répondre à cinq questions : • Qu'est-ce que l'esprit critique et comment le développer ? • Quels outils et quelles méthodes de formation ? • Quels statuts pour le formateur et pour la formation ? • Comment former à l'heure des learning centers ? • Quelle formation documentaire à l'heure des réseaux sociaux et des discovery tools ? L'analyse transversale des comptes-rendus des cinq ateliers montre que la nécessité d'une étroite collaboration entre bibliothécaires et enseignants reste la préoccupation principale des participants. La composition du public de la journée confirme d'ailleurs cette préoccupation puisque peu d'enseignants (un peu plus de 10 %) avaient répondu à l'invitation. Sans surprise, des concepts comme le développement de l'esprit critique, le plagiat, le statut du formateur et des formations, les pédagogies actives et une meilleure utilisation des réseaux sociaux ont aussi été très présents dans presque tous les ateliers. Parmi les principaux points focaux qui émergent de cette journée, on peut souligner les éléments suivants : Ces pistes avaient en effet déjà, en partie, été énoncées en octobre 1997, lors des « Ateliers francophones sur la formation documentaire » (http://orbi.ulg.ac.be/handle/2268/5055). Ce qu'il faut enfin souligner, c'est l'intérêt massif (le nombre de participants) du public et les attentes tout aussi massives de celui-ci. Pour aider les formateurs à développer des actions de formation efficaces, répondant à ces préoccupations, la création de supports didactiques, la mise en place de formations de formateurs ainsi que de lieux d'échanges et de partage restent plus que jamais nécessaires. Ces chantiers sont maintenant ouverts. Il reste à les concrétiser.
Comment evolue l’esprit critique des etudiants tout au long de leur cursus ? Afin de brosser le t... more Comment evolue l’esprit critique des etudiants tout au long de leur cursus ? Afin de brosser le tableau de leur degre d’esprit critique sous differents plans, je m’attacherai, a travers des exemples concrets, a comparer leurs profils, leurs niveaux de connaissance en matiere d’utilisation des ressources, de citation, plagiat, outils de navigation, …, ainsi que leurs attentes, et degres d’autonomie. Par exemple, comment considerent-ils Google, comment apprehendent-ils la problematique du plagiat, comment jugent-ils de la fiabilite et de la pertinence d’un document ? Mon experience personnelle aupres d’etudiants se situant aux differents niveaux du cursus permet d’evoquer ces matieres, avec comme corollaire, quelle pierre a l’edifice puis-je leur apporter en tant que formatrice a la recherche documentaire ?
We live in an era in which human activities are causing significant changes to the atmospheric en... more We live in an era in which human activities are causing significant changes to the atmospheric environment which result in local to global consequences on the ecosystems. Changes in the atmospheric composition impact our climate via chemical and dynamical feedback mechanisms; in many instances they also affect air quality, and the health of the biosphere. Monitoring and understanding those changes and their consequences is fundamental to establish adequate actions for adaptation to and mitigation of the environmental changes. Furthermore, after implementation of regulatory measures like the Montreal Protocol, it is necessary to verify whether the measures are effective. This can only be achieved if we have adequate detection methods and a reliable long record of a series of key geophysical parameters. Thus the AGACC project contributes to the provision of basic new knowledge regarding the atmospheric composition and its changes, based on advanced ground-based monitoring, in combination with satellite and numerical modelling data. Its results are integrated in ongoing international research programmes.
Abstract:[en] Ile de La Réunion (21 S, 55 E) is candidate to become a primary station the ground-... more Abstract:[en] Ile de La Réunion (21 S, 55 E) is candidate to become a primary station the ground-based Network for the Detection of Atmospheric Composition Change (NDACC) which was formed to provide long-term monitoring of atmospheric trace gases at globally ...
Spectroscopy in the UV, visible and NIR regions has gained recognition these last decades in atmo... more Spectroscopy in the UV, visible and NIR regions has gained recognition these last decades in atmospheric research through the development of instruments dedicated to the detection of atmospheric species and operating in these spectral regions. Laboratory measurements are needed to deliver high quality reference data. Those can either be line parameters, such as line position, intensity and broadening coefficients, or absorption cross-sections. The use of these reference data in an atmospheric context implies that the laboratory measurements be conducted under temperature and pressure conditions close to the ones prevailing in the atmosphere. As those vary over a large scale, it is necessary to analyse in detail the temperature and pressure dependence of i.e. the absorption crosssections. Large variations are observed, which must be taken into account when performing atmospheric soundings.
The radiative properties of water vapor play an important role in the physical and chemical proce... more The radiative properties of water vapor play an important role in the physical and chemical processes occurring in the atmosphere. Accurate knowledge of the line parameters for this species is therefore needed. This work presents new measurements of water vapor line parameters in the 26 000-13 000 cm −1 spectral region. The measurements were obtained by combining a high-resolution Fourier transform spectrometer with a long-path absorption cell, thus allowing the observation of very weak, previously unobserved, lines. A total of more than 9000 lines have been identiÿed and their position, integrated cross section and self-broadening parameter have been determined. The dependence of the line parameters on nitrogen bu er gas pressure (0-800 hPa) has also been studied. The complete line list presented here is primarily compared to the HITRAN spectroscopic database, most frequently used in atmospheric calculations.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2009
All available transitions from microwave to visible region (0.2-12 105 cm À1 ) of the HD 18 O mol... more All available transitions from microwave to visible region (0.2-12 105 cm À1 ) of the HD 18 O molecule were collected and tested using the RITZ computer code. Literature data were completed by transitions assigned to HD 18 O in long path Fourier transform absorption spectra of the H 2 O, HDO and D 2 O gas mixtures with natural abundance of oxygen-18. In addition about 40 unassigned lines between 4200 and 6600 cm À1 of our previous water study associated with the HD 18 O molecule have been found and assigned. The new long path absorption spectra of the HDO and D 2 O mixtures allow us to observe about 1000 transitions of HD 18 O in the 6125-10 720 cm À1 spectral region. These data have been critically analyzed and used to obtain the most complete and precise set of the experimental energy levels of this molecule.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2010
Absorption spectra of HDO/D 2 O mixtures recorded in the 5600-8800 cm À 1 region with a total pre... more Absorption spectra of HDO/D 2 O mixtures recorded in the 5600-8800 cm À 1 region with a total pressure of water from 13 up to 18 hPa and an absorption path length of 600 m have been analyzed in order to obtain new spectroscopic data for HD O and D 2 18 O. In spite of the low natural 18 O concentration (about 2 Â 10 À 3 with respect to the 16 O one), about 1100 transitions belonging to HD 18 O and more than 280 transitions belonging to D 2 18 O have been assigned. Most of the D 2 18 O transitions belong to the n 1 +n 2 + n 3 and 2n 1 + n 3 bands. Sets of energy levels for seven vibrational states of D 2 18 O and four states of HD 18 O are reported for the first time. The comparison of the experimental data with the calculated values based on Partridge-Schwenke global variational calculations is discussed.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2010
This is the second of a series of articles reporting critically evaluated rotational-vibrational ... more This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents
Environmental Science and Pollution Research, 1998
Aromatic compounds when released into the atmosphere can have a direct effect on health as well a... more Aromatic compounds when released into the atmosphere can have a direct effect on health as well as comributing to the formation of secondary air pollutants including ozone. Commercial uses of aromatic hydrocatbons inelude use as solvents, in paints and polymer manufacture. Single ring compounds are constituents of petrol and this is a large source of their release to the atmosphere. Reaction with OH radicals is believed to be the dominant loss process for aromatic compounds in the troposphere and has been the subject of numerous kinetic studies with rate data being now well established. However, there have been few systematic studies carried out to date on substituted aromatics. Structure activity trends have shown that increased degree of alkyl substitution leacis to enhanced reactivity of the ring towards the electrophilic OH radical, while increasing the length of the alkyl side chain appears to show no trend among investigations. There have been relatively few kinetic studies on reactions of OH with halogenared aromatics, in particular fluorinared aromatics which are used as intetmediates in the chemieal industry. lt has recently been suggested that Cl atoms may play a significant role in the gas phase degradation of volatile organic compounds in marine air masses. Measurements of the ambient concentrations of alkanes and alkyl nitrates in the lower troposphere during the Aretic springtime also provide evidence for the importance of Cl atom reactions in the atmosphere. A growing body of evidence from field experiments, labaratory studies and model calculations suggest that, in addition to HC!, highly reactive chlorine-eontaining species, suehas Cl" HOC!and C!NO, also volatilise from sea salt aerosol in d1e marine boundary layer. Subsequent photolysis of these eompounds mayprovide relative!y high levels of Cl in various regions of the troposphere. This work involves a systematic study on the kinetics of the reaction of OH radicals and Cl atoms with aromatic compounds. The results are compared with previous litetature values and discussed in terms of struerure activity relationships.
The Fourier-transform absorption spectrum of H 2 18 O was recorded in the 6000-7940 cm À1 region ... more The Fourier-transform absorption spectrum of H 2 18 O was recorded in the 6000-7940 cm À1 region and assigned on the base of the very accurate ab initio calculations by Partridge and Schwenke (PS) [J. ]. A set of 821 accurate rovibrational energy levels was obtained for six interacting states of the first hexad: (101), (120), (021), (200), (002), and (040). 290 of them are reported for the first time. The experimental line intensities are also estimated and compared with the PS calculations and the available literature data in the considered spectral range.
This is the second of a series of articles reporting critically evaluated rotationalvibrational l... more This is the second of a series of articles reporting critically evaluated rotationalvibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents energy levels and line positions of the following singly deuterated isotopologues of water: HD 16 O, HD 17 O, and HD 18 O. The MARVEL (measured active rotational-vibrational energy levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-22 708, 0-1674, and 0-12 105 cm À 1 for HD 16 O, HD 17 O, and HD 18 O, respectively. For HD 16 O, 54 740 transitions were analyzed from 76 sources, the lines come from spectra recorded both at room temperature and from hot samples. These lines correspond to 36 690 distinct assignments and 8818 energy levels. For HD 17 O, only 485 transitions could be analyzed from three sources; the lines correspond to 162 MARVEL energy levels. For HD 18 O, 8729 transitions were analyzed from 11 sources and these lines correspond to 1864 energy levels. The energy levels are checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators. This comparison shows that the measured transitions account for about 86% of the anticipated absorbance of HD 16 O at 296 K and that the transitions predicted by the MARVEL energy levels account for essentially all the remaining absorbance. The extensive list of MARVEL lines and levels obtained are given in the Supplementary Material of this article, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved. In addition, the transition and energy level information for H 2 17 O and H 2 18 O, given in the first paper of this series [Tennyson, et al. J Quant Spectr Rad Transfer 2009;110:573-96], has been updated. a Shift of the middle wavenumber value of the range (new-old). b Indicates that half of the energy levels involved in the transitions in the given source are part of at least this many measured and validated transitions. c This shift is within the original precision of about 0.00006 cm À 1 . d The same calibration factor was determined in . e A very similar calibration factor was determined in . f This is the only ICLAS measurement which was recalibrated as part of the present study.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2009
This is the second of a series of articles reporting critically evaluated rotational-vibrational ... more This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents
The absorption spectrum of dideuterated water, D 2 O, has been recorded between 8800 and 9520 cm ... more The absorption spectrum of dideuterated water, D 2 O, has been recorded between 8800 and 9520 cm À1 by intracavity laser absorption spectroscopy (ICLAS) based on a vertical external cavity system emitting laser (VeCSEL) and by high sensitivity Fourier Transform spectroscopy. The combined analysis of the spectra has allowed attributing 1223 transitions to the D 2 O species. The spectrum assignment was performed on the basis of the recent results of variational calculations based on an optimized potential energy surface of D 2 O. A set of 687 energy levels was derived from transitions assigned to eight upper vibrational states, 577 of them being reported for the first time. A detailed line list has been generated. The line intensities were retrieved mainly from the FTS spectrum and the absolute integrated intensities of the 2v 1 + v 2 + v 3 and the v 2 + 3v 3 bands dominating the spectrum have been determined.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2014
This paper is the fourth of a series of papers reporting critically evaluated rotationalvibration... more This paper is the fourth of a series of papers reporting critically evaluated rotationalvibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This paper presents energy level and transition data for the following doubly and triply substituted isotopologues of water: D 2 16 O, D 2 17 O, and D 2 18 O. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-14 016, 0-7969, and 0-9108 cm À 1 for D 2 16 O, D 2 17 O, and D 2 18 O, respectively. For D 2 16 O, D 2 17 O, and D 2 18 O, 53 534, 600, and 12 167 lines are considered, respectively, from spectra recorded in absorption at room temperature and in emission at elevated temperatures. The number of validated energy levels is 12 269, 338, and 3351 for D 2 16 O, D 2 17 O, and D 2 18 O, respectively. The energy levels have been checked against the ones determined, with an average accuracy of about 0.03 cm À 1 , from variational rovibrational computations employing exact kinetic energy operators and an accurate potential energy surface. Furthermore, the rovibrational labels of the energy levels have been validated by Contents lists available at ScienceDirect
Les textes repris dans ces actes sont ceux qui ont été présentés le 18 mai 2015. Ils sont publiés... more Les textes repris dans ces actes sont ceux qui ont été présentés le 18 mai 2015. Ils sont publiés tels que les auteurs les ont transmis. Les actes sont publiés en libre accès par le comité scientifique du colloque (voir page 4). Cette oeuvre est sous licence Creative Commons. Vous êtes libre de reproduire, de modifier, de distribuer et de communiquer cette création au public à la condition de citer le nom de l'auteur original de la manière indiquée par l'auteur de l'oeuvre ou le titulaire des droits qui vous confère cette autorisation (mais pas d'une manière qui suggérerait qu'ils vous soutiennent ou approuvent votre utilisation de l'oeuvre). Le texte de la licence peut être consulté à l'adresse : http://creativecommons.org/licenses/by/4.0/deed.fr Rien dans cette licence ne diminue ou ne restreint le droit moral de l'auteur. Le comité scientifique remercie : 1 #ILIB15 Comptes rendus du colloque du 18 mai 2015 Avant-propos Ce 18 mai, le colloque « Former aux compétences informationnelles à l'heure du Web 2.0 et des discovery tools » a rassemblé près de 250 personnes dans le cadre exceptionnel de la ferme abbatiale de Gembloux Agro-Bio Tech, la faculté des sciences agronomiques de l'Université de Liège (Belgique). Le public était majoritairement belge, mais une trentaine de bibliothécaires français ont également participé à la journée. Deux orateurs québécois faisaient aussi partie du public. Le monde de l'information se transforme en profondeur au rythme des avancées technologiques, mais aussi des évolutions dans la façon de produire, diffuser, collecter, traiter l'information. On ne cherche plus, on ne s'approprie plus, on ne diffuse plus l'information aujourd'hui comme on le faisait il y a moins de 10 ans encore. Peut-on dès lors continuer à former aux compétences informationnelles comme auparavant ? C'est pour tenter de répondre à cette question que ce colloque a été organisé : faire un état de la question et dessiner les perspectives actuelles et futures de la formation aux compétences informationnelles à l'heure où le monde de l'information et celui des bibliothèques connaissent des évolutions majeures. Outre un état de la question et une mise en perspective, le colloque du 18 mai 2015 avait pour ambition de produire des recommandations et des pistes concrètes pouvant être directement utiles aux formateurs. Pour ce faire, le colloque était organisé autour de quatre conférences, de cinq ateliers et d'une exposition de posters. Les conférences et l'exposition de posters avaient pour objectif de susciter réflexions et échanges. Les ateliers devaient permettre de répondre à cinq questions : • Qu'est-ce que l'esprit critique et comment le développer ? • Quels outils et quelles méthodes de formation ? • Quels statuts pour le formateur et pour la formation ? • Comment former à l'heure des learning centers ? • Quelle formation documentaire à l'heure des réseaux sociaux et des discovery tools ? L'analyse transversale des comptes-rendus des cinq ateliers montre que la nécessité d'une étroite collaboration entre bibliothécaires et enseignants reste la préoccupation principale des participants. La composition du public de la journée confirme d'ailleurs cette préoccupation puisque peu d'enseignants (un peu plus de 10 %) avaient répondu à l'invitation. Sans surprise, des concepts comme le développement de l'esprit critique, le plagiat, le statut du formateur et des formations, les pédagogies actives et une meilleure utilisation des réseaux sociaux ont aussi été très présents dans presque tous les ateliers. Parmi les principaux points focaux qui émergent de cette journée, on peut souligner les éléments suivants : Ces pistes avaient en effet déjà, en partie, été énoncées en octobre 1997, lors des « Ateliers francophones sur la formation documentaire » (http://orbi.ulg.ac.be/handle/2268/5055). Ce qu'il faut enfin souligner, c'est l'intérêt massif (le nombre de participants) du public et les attentes tout aussi massives de celui-ci. Pour aider les formateurs à développer des actions de formation efficaces, répondant à ces préoccupations, la création de supports didactiques, la mise en place de formations de formateurs ainsi que de lieux d'échanges et de partage restent plus que jamais nécessaires. Ces chantiers sont maintenant ouverts. Il reste à les concrétiser.
Comment evolue l’esprit critique des etudiants tout au long de leur cursus ? Afin de brosser le t... more Comment evolue l’esprit critique des etudiants tout au long de leur cursus ? Afin de brosser le tableau de leur degre d’esprit critique sous differents plans, je m’attacherai, a travers des exemples concrets, a comparer leurs profils, leurs niveaux de connaissance en matiere d’utilisation des ressources, de citation, plagiat, outils de navigation, …, ainsi que leurs attentes, et degres d’autonomie. Par exemple, comment considerent-ils Google, comment apprehendent-ils la problematique du plagiat, comment jugent-ils de la fiabilite et de la pertinence d’un document ? Mon experience personnelle aupres d’etudiants se situant aux differents niveaux du cursus permet d’evoquer ces matieres, avec comme corollaire, quelle pierre a l’edifice puis-je leur apporter en tant que formatrice a la recherche documentaire ?
We live in an era in which human activities are causing significant changes to the atmospheric en... more We live in an era in which human activities are causing significant changes to the atmospheric environment which result in local to global consequences on the ecosystems. Changes in the atmospheric composition impact our climate via chemical and dynamical feedback mechanisms; in many instances they also affect air quality, and the health of the biosphere. Monitoring and understanding those changes and their consequences is fundamental to establish adequate actions for adaptation to and mitigation of the environmental changes. Furthermore, after implementation of regulatory measures like the Montreal Protocol, it is necessary to verify whether the measures are effective. This can only be achieved if we have adequate detection methods and a reliable long record of a series of key geophysical parameters. Thus the AGACC project contributes to the provision of basic new knowledge regarding the atmospheric composition and its changes, based on advanced ground-based monitoring, in combination with satellite and numerical modelling data. Its results are integrated in ongoing international research programmes.
Abstract:[en] Ile de La Réunion (21 S, 55 E) is candidate to become a primary station the ground-... more Abstract:[en] Ile de La Réunion (21 S, 55 E) is candidate to become a primary station the ground-based Network for the Detection of Atmospheric Composition Change (NDACC) which was formed to provide long-term monitoring of atmospheric trace gases at globally ...
Spectroscopy in the UV, visible and NIR regions has gained recognition these last decades in atmo... more Spectroscopy in the UV, visible and NIR regions has gained recognition these last decades in atmospheric research through the development of instruments dedicated to the detection of atmospheric species and operating in these spectral regions. Laboratory measurements are needed to deliver high quality reference data. Those can either be line parameters, such as line position, intensity and broadening coefficients, or absorption cross-sections. The use of these reference data in an atmospheric context implies that the laboratory measurements be conducted under temperature and pressure conditions close to the ones prevailing in the atmosphere. As those vary over a large scale, it is necessary to analyse in detail the temperature and pressure dependence of i.e. the absorption crosssections. Large variations are observed, which must be taken into account when performing atmospheric soundings.
The radiative properties of water vapor play an important role in the physical and chemical proce... more The radiative properties of water vapor play an important role in the physical and chemical processes occurring in the atmosphere. Accurate knowledge of the line parameters for this species is therefore needed. This work presents new measurements of water vapor line parameters in the 26 000-13 000 cm −1 spectral region. The measurements were obtained by combining a high-resolution Fourier transform spectrometer with a long-path absorption cell, thus allowing the observation of very weak, previously unobserved, lines. A total of more than 9000 lines have been identiÿed and their position, integrated cross section and self-broadening parameter have been determined. The dependence of the line parameters on nitrogen bu er gas pressure (0-800 hPa) has also been studied. The complete line list presented here is primarily compared to the HITRAN spectroscopic database, most frequently used in atmospheric calculations.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2009
All available transitions from microwave to visible region (0.2-12 105 cm À1 ) of the HD 18 O mol... more All available transitions from microwave to visible region (0.2-12 105 cm À1 ) of the HD 18 O molecule were collected and tested using the RITZ computer code. Literature data were completed by transitions assigned to HD 18 O in long path Fourier transform absorption spectra of the H 2 O, HDO and D 2 O gas mixtures with natural abundance of oxygen-18. In addition about 40 unassigned lines between 4200 and 6600 cm À1 of our previous water study associated with the HD 18 O molecule have been found and assigned. The new long path absorption spectra of the HDO and D 2 O mixtures allow us to observe about 1000 transitions of HD 18 O in the 6125-10 720 cm À1 spectral region. These data have been critically analyzed and used to obtain the most complete and precise set of the experimental energy levels of this molecule.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2010
Absorption spectra of HDO/D 2 O mixtures recorded in the 5600-8800 cm À 1 region with a total pre... more Absorption spectra of HDO/D 2 O mixtures recorded in the 5600-8800 cm À 1 region with a total pressure of water from 13 up to 18 hPa and an absorption path length of 600 m have been analyzed in order to obtain new spectroscopic data for HD O and D 2 18 O. In spite of the low natural 18 O concentration (about 2 Â 10 À 3 with respect to the 16 O one), about 1100 transitions belonging to HD 18 O and more than 280 transitions belonging to D 2 18 O have been assigned. Most of the D 2 18 O transitions belong to the n 1 +n 2 + n 3 and 2n 1 + n 3 bands. Sets of energy levels for seven vibrational states of D 2 18 O and four states of HD 18 O are reported for the first time. The comparison of the experimental data with the calculated values based on Partridge-Schwenke global variational calculations is discussed.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2010
This is the second of a series of articles reporting critically evaluated rotational-vibrational ... more This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents
Environmental Science and Pollution Research, 1998
Aromatic compounds when released into the atmosphere can have a direct effect on health as well a... more Aromatic compounds when released into the atmosphere can have a direct effect on health as well as comributing to the formation of secondary air pollutants including ozone. Commercial uses of aromatic hydrocatbons inelude use as solvents, in paints and polymer manufacture. Single ring compounds are constituents of petrol and this is a large source of their release to the atmosphere. Reaction with OH radicals is believed to be the dominant loss process for aromatic compounds in the troposphere and has been the subject of numerous kinetic studies with rate data being now well established. However, there have been few systematic studies carried out to date on substituted aromatics. Structure activity trends have shown that increased degree of alkyl substitution leacis to enhanced reactivity of the ring towards the electrophilic OH radical, while increasing the length of the alkyl side chain appears to show no trend among investigations. There have been relatively few kinetic studies on reactions of OH with halogenared aromatics, in particular fluorinared aromatics which are used as intetmediates in the chemieal industry. lt has recently been suggested that Cl atoms may play a significant role in the gas phase degradation of volatile organic compounds in marine air masses. Measurements of the ambient concentrations of alkanes and alkyl nitrates in the lower troposphere during the Aretic springtime also provide evidence for the importance of Cl atom reactions in the atmosphere. A growing body of evidence from field experiments, labaratory studies and model calculations suggest that, in addition to HC!, highly reactive chlorine-eontaining species, suehas Cl" HOC!and C!NO, also volatilise from sea salt aerosol in d1e marine boundary layer. Subsequent photolysis of these eompounds mayprovide relative!y high levels of Cl in various regions of the troposphere. This work involves a systematic study on the kinetics of the reaction of OH radicals and Cl atoms with aromatic compounds. The results are compared with previous litetature values and discussed in terms of struerure activity relationships.
The Fourier-transform absorption spectrum of H 2 18 O was recorded in the 6000-7940 cm À1 region ... more The Fourier-transform absorption spectrum of H 2 18 O was recorded in the 6000-7940 cm À1 region and assigned on the base of the very accurate ab initio calculations by Partridge and Schwenke (PS) [J. ]. A set of 821 accurate rovibrational energy levels was obtained for six interacting states of the first hexad: (101), (120), (021), (200), (002), and (040). 290 of them are reported for the first time. The experimental line intensities are also estimated and compared with the PS calculations and the available literature data in the considered spectral range.
This is the second of a series of articles reporting critically evaluated rotationalvibrational l... more This is the second of a series of articles reporting critically evaluated rotationalvibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents energy levels and line positions of the following singly deuterated isotopologues of water: HD 16 O, HD 17 O, and HD 18 O. The MARVEL (measured active rotational-vibrational energy levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-22 708, 0-1674, and 0-12 105 cm À 1 for HD 16 O, HD 17 O, and HD 18 O, respectively. For HD 16 O, 54 740 transitions were analyzed from 76 sources, the lines come from spectra recorded both at room temperature and from hot samples. These lines correspond to 36 690 distinct assignments and 8818 energy levels. For HD 17 O, only 485 transitions could be analyzed from three sources; the lines correspond to 162 MARVEL energy levels. For HD 18 O, 8729 transitions were analyzed from 11 sources and these lines correspond to 1864 energy levels. The energy levels are checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators. This comparison shows that the measured transitions account for about 86% of the anticipated absorbance of HD 16 O at 296 K and that the transitions predicted by the MARVEL energy levels account for essentially all the remaining absorbance. The extensive list of MARVEL lines and levels obtained are given in the Supplementary Material of this article, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved. In addition, the transition and energy level information for H 2 17 O and H 2 18 O, given in the first paper of this series [Tennyson, et al. J Quant Spectr Rad Transfer 2009;110:573-96], has been updated. a Shift of the middle wavenumber value of the range (new-old). b Indicates that half of the energy levels involved in the transitions in the given source are part of at least this many measured and validated transitions. c This shift is within the original precision of about 0.00006 cm À 1 . d The same calibration factor was determined in . e A very similar calibration factor was determined in . f This is the only ICLAS measurement which was recalibrated as part of the present study.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2009
This is the second of a series of articles reporting critically evaluated rotational-vibrational ... more This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents
The absorption spectrum of dideuterated water, D 2 O, has been recorded between 8800 and 9520 cm ... more The absorption spectrum of dideuterated water, D 2 O, has been recorded between 8800 and 9520 cm À1 by intracavity laser absorption spectroscopy (ICLAS) based on a vertical external cavity system emitting laser (VeCSEL) and by high sensitivity Fourier Transform spectroscopy. The combined analysis of the spectra has allowed attributing 1223 transitions to the D 2 O species. The spectrum assignment was performed on the basis of the recent results of variational calculations based on an optimized potential energy surface of D 2 O. A set of 687 energy levels was derived from transitions assigned to eight upper vibrational states, 577 of them being reported for the first time. A detailed line list has been generated. The line intensities were retrieved mainly from the FTS spectrum and the absolute integrated intensities of the 2v 1 + v 2 + v 3 and the v 2 + 3v 3 bands dominating the spectrum have been determined.
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