INTERNATIONAL WORKSHOP

Spectroscopy of methane and derived molecules for atmospheric and planetary applications

Dole, France, 26-28 November, 2012

ORGANIZED BY

Athena Coustenis (LESIA, Meudon) Vincent Boudon (ICB, Dijon) Alain Campargue (LSP, Grenoble) Vladimir Tyuterev (GSMA, Reims)

Jeanna Buldyreva (UTINAM, Besancon)

WITH THE FINANCIAL SUPPORT OF

THIRD (AND LAST) ANNOUNCEMENT

Dear colleague, This announcement provides the lastest detailed information about the Workshop venue and organization. Conference venue: The conference will be held in one of the buildings of Maison Ramel :

Espace Gourmand Maison RAMEL 2 rue Pierre Vernier Zone des Epenottes 39 100 Dole

(see the map below).

Arrival: Dole is easily accessible by train from Paris, either by direct TGV, for instance;

• Direct TGV from Paris Gare de Lyon to Dole Ville at 7:57 am, • Direct TGV from Dole Ville to Paris Gare de Lyon at 2:00 pm,

or via Dijon (TGV plus TER, several times a day). The conference location is accessible by the buses n° 2 and 4 from the Dole railway station, from the stop « Dole Gare SNCF » to the stop « Dole Grandes Epenottes »: Timetable line n° 2 : http://www.reseau-tgd.fr/horaires2html.php?num=2&periode=0 Timetable line n° 4 : http://www.reseau-tgd.fr/horaires2html.php?num=4&periode=0 (for more details see http://www.reseau-tgd.fr/reseau-tgd2.php).

The accomodations for the invited speakers are booked in the hotel Eric (indicated on the map): Eric-Hôtel Les Epenottes / 11 Rue Alexandre Vialatte 39100 Dole

and it will be necessary to tell the receptionist that you are a participant of the seminar managed by Maison Ramel. Organization: The Workshop will start on Monday, November 26th, 2012 at 12:00 am (by a lunch, talks will start at 2:15 pm) and will end on Wednesday, November 28th, 2012 at 2:00 pm (after lunch, talks ending at 0:30 pm). It will feature 13 invited talks (30’, including questions) and 19 contributed talks (15’, including questions) and some poster presentations. Invited talks: ALBERT Sieghard Zürich Switzerland BOUDON Vincent Dijon France BULDYREVA Jeanna Besançon France CAMPARGUE Alain Grenoble France CARRINGTON Tucker Kingston, Ontario Canada COUSTENIS Athena Meudon France GEORGES Robert Rennes France LAVRENTIEVA Nina N. Tomsk Russia NIKITIN Andrei Tomsk Russia TRAN Ha Créteil France TYUTEREV Vladimir Reims France YURCHENKO Sergey London United Kingdom We recall that the goal of this meeting is to bring together the experts working in this field and to provide the communities of spectroscopists, astrophysicists and astronomers with the most recent results and the most advanced methods of analysis for various kinds of applications. The workshop will also aim to summarize the current needs in the domain and to engage a large coordination of research projects on the methane and derived molecules.

Workshop program:

Monday, 26 November

12:00-14:00 LUNCH

14:00-14:15 Introduction / Logistics V. Boudon / J. Buldyreva

SESSION G: METHANE IN GENERAL AND THEORY Chair: V. Tyuterev

14:15-14:45 LINE-BY-LINE ANALYSES OF METHANE: WHERE ARE WE AND WHERE DO WE GO? V. Boudon

14:45-15:15 A VARIATIONALLY COMPUTED T=1000 K LINE LIST FOR CH4 S. Yurchenko

15:15-15:30 THE STATE-OF-ART OF A CONVERSIONAL EXPERT SYSTEM FOR METHANE SPECTROSCOPY A. Fazliev

15:30-15:45 MERLIN: A FRANCO-GERMAN LIDAR MISSION FOR METHANE MONITORING FROM SPACE P. Flamant

15:45-16:00 AB INITIO ELECTRONIC CALCULATIONS, RATE CONSTANTS AND BRANCHING RATIOS FOR THE CH4 + N(2D) REACTION TOGETHER WITH THEIR IMPLICATIONS FOR ATMOSPHERIC MODELS OF TITAN

B. Bussery-Honvault

16:00-16:30 COFFEE BREAK

16:30-16:50 EFFICIENT CALCULATIONS OF HIGH-LYING RO-VIBRATIONAL LEVELS OF METHANE USING RADAU VIBRATIONAL COORDINATES AND AN ECKART FRAME

T. Carrington

16:50-17:10 RESULTS OF ECKART-FRAME CALCULATIONS: THE HIGH-j STATES OF THE TETRADECAD OF 12CH4 AND 13CH4 and 12CH3D

X. Wang

17:10-17:25 APPLICATION OF QUASI-DEGENERATE PERTURBATION THEORY TO THE CALCULATION OF ROTATIONAL ENERGY LEVELS OF METHANE VIBRATIONAL POLYADS

P. Cassam-Chenaï

17:25-17:40 CALCULATED LINE BROADENING PARAMETERS FOR METHANE PERTURBED BY DIATOMIC MOLECULES

T. Gabard

17:40-17:55 IN SEARCH OF DIMERS IN METHANE-RICH ATMOSPHERE A. Vigasin  

Tuesday, 27 November

SESSION T: THEORETICAL WORK Chair: A. Campargue

09:00-09:30 SPECTROSCOPIC MODELS FOR METHANE POLYADS DERIVED FROM A POTENTIAL ENERGY SURFACE: EXTENSION TO HIGHER QUANTUM NUMBERS

V. Tyuterev

09:30-10:00 THEORETICAL MODELING OF THE METHANE HIGH-RESOLUTION INFRARED SPECTRUM A. Nikitin

10:00-10:15 NORMAL MODE VARIATIONAL CALCULATIONS OF ENERGIES AND INTENSITIES OF METHANE M. Rey

10:15-10:30 METHANE AND DERIVED MOLECCULES IN GEISA : DATA CONTENT, EVALUATION, EVOLUTION M. Rotger

10:30-11:00 COFFEE BREAK

11:00-11:30 AIR-BROADENING COEFFICIENTS AND TEMPERATURE EXPONENTS OF CH3Cl LINES FOR SPECTROSCOPIC DATABASES

J. Buldyreva

11:30-12:00 SEMI-EMPIRICAL APPROACH FOR CALCULATION OF CH335CL SELF-BROADENING COEFFICIENTS N. Lavrentieva

12:00-12:30 THE 2n3 BAND OF CH4 REVISITED WITH LINE-MIXING AND CONSEQUENCES FOR SPECTROSCOPY AND ATMOSPHERIC RETRIEVALS

H. Tran

12:30-14:00 LUNCH

SESSION E: EXPERIMENTAL WORK Chair: A. Coustenis

14:00-14:30 OVERVIEW OF THE WKMC EMPIRICAL LINE LISTS FOR METHANE BETWEEN 80 K AND 296 K (1.26-1.71 µM) AND IMPROVEMENT OF THE TETRADECAD REGION

A Campargue

14:30-15:00 HIGH RESOLUTION FTIR SPECTROSCOPY OF METHANE AND CHIRAL METHANE DERIVATIVES WITH AND WITHOUT SYNCHROTRON SOURCES

S. Albert

15:00-15:30 HIGH TEMPERATURE SPECTROSCOPY OF METHANE: CONTRIBUTION TO EXOPLANET AND BROWN DWARF OPACITIES IN THE INFRARED

R. Georges

15:30-15:45 ROTATIONAL DEPENDENCES OF THE SELF, N2, O2 BROADENING COEFFICIENTS OF CH335CL STUDIED BY CW-THZ SPECTROSCOPY

A. Cuisset

15:45-16:00 AN IMPROVED ROTATIONAL ANALYSIS OF THE ν7 BAND OF ETHANE J. Vander Auwera

16:00-16:30 COFFEE BREAK

16:30-16:45 NEAR IR DIRECT ABSORPTION SPECTROSCOPY OF METHANE AND HALO-METHANE MOLECULES IN SLIT SUPERSONIC JETS AND COLD CELLS: UNTANGLING THE SPECTRA AT LOW TEMPERATURES

O. Votava

16:45-17:00 OBSERVATION OF METHANE SPINS ISOMERS DURING SOLID FORMATION BY ABSORPTION SPECTROSCOPY AT 2.3 MICRONS

P. Cacciani

17:00-17:15 FOURIER TRANSFORM SPECTROSCOPY OF CH4 WITH LONG ABSORPTION PATHS AND N2-BROADENINGS IN

THE OCTAD REGION L. Daumont

17:15-18:15 POSTERS

19:30 WORKSHOP DINNER

  Wednesday, 28 November

SESSION P: PLANETARY APPLICATIONS Chair: V. Boudon 09:00-09:30 METHANE OPACITY IN PLANETARY ATMOSPHERES A. Coustenis 09:30-09:45 ORIGIN OF METHANE IN THE OUTER SOLAR SYSTEM O. Mousis

09:45-10:15 TRANSPARENCY OF THE 2 µm WINDOW ON TITAN STUDIED WITH OBSERVATIONS MADE BY VIMS P. Rannou

10:15-10:30 TITAN'S SURFACE AND ATMOSPHERE FROM CASSINI/VIMS DATA WITH UPDATED METHANE OPACITY B. Bézard

10:30-11:00 COFFEE BREAK

11:00-11:30 EQUINOCTIAL ACTIVITY OVER TITAN DUNE FIELDS REVEALED BY CASSINI/VIMS. S. Rodriguez

11:30-11:45 APPLICATION OF THE WKMC METHANE LINE LIST TO SPECTRA OF URANUS AND NEPTUNE C. de Bergh

11:45-12:00 OBSERVATIONS OF METHANE IN THE ATMOSPHERE OF MARS USING MID INFRARED HETERODYNE SPECTROSCOPY

G. Sonnabend

12:30-14:00 LUNCH

END OF MEETING

JMS Special issue: Participants who are interested could submit their manuscripts in a special Journal of Molecular Spectroscopy issue (V. Boudon, A. Coustenis, Eds) planned to be published in mid-2013.

Special issue of Journal of Molecular Spectroscopy focusing on methane spectroscopy and its

applications to planetary atmospheres, including the Earth’s Methane (CH4) is a key molecule for many research domains in fundamental and applied sciences. In the Earth’s atmosphere, it is present as a pollutant of both natural and anthropogenic origin and is the second greenhouse gas (after carbon dioxide) whose emission should be strongly reduced, according to the Kyoto protocol. It is present in significant quantities in the atmospheres of many Solar System bodies, such as the giant planets, Titan, Triton, Pluto and other Kuiper-Belt objects. In particular, the Cassini-Huygens mission, exploring Saturn’s system, and especially Titan, since 2004, has greatly revived the interest in modeling the methane absorption spectrum. Moreover, CH4 has been detected in some hot astrophysical objects such as brown dwarfs and exoplanets. From the fundamental point of view, methane, as the simplest saturated hydrocarbon molecule, is a prototype for quantum chemistry calculations. Despite all the scientific interest and applications, until recently, the absorption spectrum of methane was insufficiently explored and modeled, mainly due to the huge complexity of the molecule’s excited vibrational polyads, featuring numerous strong rovibrational interactions. The present status of the models makes them still insufficiently complete to meet the goals of most applications. Astrophysical objects with large atmospheres including important methane concentrations (Titan) or hot bodies (brown dwarfs, hot jupiters, etc.) clearly necessitate the study of highly excited rovibrational levels, which are not presently understood. The interpretation of Earth-observing satellite data now requires high precision laboratory measurements and models for line intensities and collisional broadening coefficients. The situation has recently improved, however, due to the development, on the one hand, of new high-sensitivity spectroscopic techniques and, on the other hand, of new and powerful theoretical approaches. From the observational point of view, numerous data are constantly flowing from space probes satellites and telescopes observing methane-rich environments and await detailed interpretation. The aim of this special issue is to gather papers covering all the fields of methane spectroscopy and its applications. All papers focusing on experimental aspects of methane spectroscopy, on theoretical calculations (effective Hamiltonians and transitions moments, ab initio calculations, etc.), analyses and simulations (line positions and intensities, collisional broadening coefficients, etc.), as well as applications to planetary atmospheres (radiative transfer, concentration measurements, atmospheric chemistry, etc.) that meet the publication standards of the Journal of Molecular Spectroscopy will be considered. All papers will be subject to the normal submittal (http://ees.elsevier.com/jms/) and refereeing process. Deadline for submission of manuscript: January 31, 2013. Expected publication date: August 2013. Guest editors: Vincent BOUDON Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS–Université de Bourgogne 9 Av. A. Savary, BP 47870 F-21078, Dijon Cedex, France Tél.: +33 3 80 39 59 17 Fax: +33 3 80 39 59 71 E-mail: Vincent.Boudon@u-bourgogne.fr

Athena COUSTENIS Laboratoire d'Etudes Spatiales et d'Instrumen-tation en Astrophysique Observatoire de Paris - Section de Meudon 5 place Jules Janssen F- 92195 Meudon, France Tél. : +33 1 45 07 77 20 Fax : +33 1 45 07 28 06 E-mail: Athena.Coustenis@obspm.fr