Our Astro-Chemical History Past, Present, and Future Sept. 10-14 2018 Assen, The Netherlands Abstract Book Program Monday 12:30-14:00 Lunch 14:00-15:25 14:00 Welcome and logistics 14:10 Summary of activities/results from the Action (Laurent Wiesenfeld) 14:40 The Future of Astrochemistry - Farid Salama (NASA) 15:25-16:00 Coffee break 16:00-17:30 Formation of COMs: surface routes vs new gas-phase routes 16:00 Audrey Coutens (Bordeaux, FR) 16:30 Dimitrios Skouteris (Pisa, IT) 17:00 Alexey Potapov (University ofJena, DE) 17:30-18:30 Welcome reception/posters 19:00-20:00 Dinner Tuesday 9:00-10:30 Low temperature chemistry and kinetics and processes (gas & solid) 9:00 Sergiy Krasnokutskiy (Jena, DE) 9:30 Johannes Kästner (Stuttgart, DE) 10:00 Stanka Jerosimić (Belgrade, RS) 10:30-11:00 Coffee break 11:00-12:30 Isotopic fractionation pathways in space 11:00 Kenji Furuya (Tsukuba, JP) 11:30 Eva Wirström (Chalmers, SE) 12:00 Olli Sipilä (Helsinki, FI; MPE, DE) 12:30-14:00 Lunch 14:00-15:30 Nanoparticles: Condensation, reactivity and diffusion 14:00 Herma Cuppen (Nijmegen, NL) 14:30 David Gobrecht (Leuven, BE) 15:00 Antoni Macià Escatllar (Barcelona, ES) 15:30-16:30 Coffee break/poster session 16:30-18:00 16:30 Chemistry of Planetary Atmospheres - Christiane Helling (St Andrews, UK) 17:15 Comet chemistry - Kathrin Altwegg (Bern, CH) 19:00-20:00 Dinner Wednesday 9:00-11:00 Hydrocarbon chains and rings in space 9:00 Ricardo Urso (INAF, IT) 9:30 Maria Luisa Senent (CSIC, ES) 10:00 Thomas Pino (ISMO Paris, FR) 10:30 Sandra Wiersma (Amsterdam, NL) 11:00-11:30 Coffee break 11:30-12:50 WG summaries 11:30 WG2 - Icy Grain Surface Chemistry - Dmitry Semenov (Munich, DE) 11:50 WG4 - Isotopic Fractionation - Charlotte Vastel (Toulouse, FR) 12:10 WG3 - UV and X-ray Photochemistry - Jean-Hugues Fillion (Paris, FR) 12:30 WG1 - Chemistry in Cold Diluted Gases - Octavio Roncero (Madrid, ES) 12:50-13:30 Lunch 13:45-19:30 Social Event 14:00-16:00 Free Time Giethoorn (puntertocht) 16:30-18:30 MC Meeting (with coffee) 19:30-21:00 BBQ (outside, weather permitting) 2 Thursday 9:00-10:30 Challenges for astrochemical modeling 9:00 Marcelino Agúndez (Madrid, ES) 9:30 Serena Viti (London, UK) 10:00 Wing-Fai Thi (MPE, DE) 10:30-11:00 Coffee break 11:00-12:30 Challenges for astrochemical modeling (continued) 11:00 David Trunec (Masaryk, CZ) 11:30 Jean-Christophe Loison (Bordeaux, FR) 12:00 Ewine van Dishoeck (Leiden, NL) 12:30-14:00 Lunch 14:00-15:00 Pop up poster talks 2-3 min for each poster, one slide maximum 15:00-16:00 Coffee break/poster session 16:00-17:30 High energy chemistry (VUV, Xrays and electrons) 16:00 Christian Rab (Groningen, NL) 16:30 Vera Mazankova (Brna, CZ) 17:00 Christian Alcaraz (Saclay, FR) 19:00-20:00 Dinner Friday 9:00-10:30 Optical and spectral properties of solids in space 9:00 Jennifer Noble (Lille, FR) 9:30 Anita Dawes (OU, UK) 10:00 Belen Mate (CSIC, ES) 10:30-11:00 Coffee break 11:00-12:40 The Future 11:00 New Experimental Directions - Ian Sims (Rennes, FR) 11:30 Molecules at high redshift: from ALMA to SKA - Jeff Wagg (SKA, UK) 12:00 The future of surface chemistry - Stephanie Cazaux (Delft, NL) 12:30 Final Remarks 12:40-13:30 Lunch 13:30/14:00 Bus (organized) directly to Schiphol airport 3 List of Posters Stefano Antonellini Deuterium Chemistry in Interstellar and Circumstellar environments: A step towards a full spin chemistry Jo~aoBrand~ao The OH + CH3OH ! CH3O + H2O at low temperatures: a barrierless process Henda Chaabouni Thermal desorption of NH2CHO and CH3NH2 from HOPG and ASW ice surfaces Qiang Chang The Chemical Evolution from Prestellar to Protostellar Cores: A New Multiphase Model With Bulk Diffusion and Photon Penetration Pablo del Mazo Dynamics for the H2CO + OH reaction Marcin Gronowski Accuracy of spectroscopic constants predicted by explic- itly correlated coupled cluster methods Inga Kamp Planet forming disks: Challenging astrochemical labora- tories Jennifer Noble Photochemistry of PAHs embedded in water ice: new in- sights into the role of ice structure on the reactivity and ionisation energies of PAHs Gunnar Nyman On the gas-phase formation of the HCO radical: accurate quantum study of the H+CO radiative association Pilar Redondo Hydrogenation of Isocyanic acid on Water Ice Surfaces: a Computational Approach Dmitry Semenov Sulfur-bearing species as tracers of protoplanetary disk physics and chemistry Christopher Shingledecker Solid-Phase Cosmic Ray-Driven Radiation Chemistry in Astrochemical Models Ionut Topala Interstellar carbon dust analogs obtained using plasma based processes Joanna Zapa la Absolute intensities and photolytic behaviour of ethyl mercaptan (HS-CH2CH3) and dimethyl sulfide (CH3-S-CH3) in Ar and in CO 4 Talks The Future of Astrochemistry F. Salamaa aSpace Science and Astrobiology Division, NASA Ames Research Center, Moffett Field, California, USA Contact: [email protected] An overview of the current status and critical needs in astrochemistry will be presented. The discipline of Astrochemistry is an overlap of astronomy and chemistry and is com- monly defined as the study of molecules in the Universe. Molecules are one of the vital ingredients of our Universe and the understanding of their interaction with photons and cosmic ray radiation in space is key to our understanding of the evolution of the Universe. Astrochemistry sheds light on the chemistry of interstellar clouds and the formation of stars and planets and applies to both the Solar System and the interstellar medium. As a result, Astrochemistry includes gas-phase chemistry, ices, surface chemistry, photochem- istry, isotope chemistry and plasma chemistry among others. Emphasis will be given in this presentation to the major role that astrochemistry plays in the optimization of the science return from space missions. 6 Exploring the formation of complex organic molecules in solar-type protostars with ALMA A. Coutensa, J. K. Jørgensenb, H. S. P. M¨ullerc and the PILS team aLaboratoire d'Astrophysique de Bordeaux, Univ. Bordeaux, CNRS, France bCentre for Star and Planet Formation, Niels Bohr Institute & Natural History Museum of Denmark, University of Copenhagen, Denmark cI. Physikalisches Institut, Universit¨atzu K¨oln,Germany Contact: [email protected] Complex organic molecules are detected in a large variety of astrophysical environments. They are particularly abundant in the warm inner regions of protostars, where planets, comets and asteroids are expected to form. These molecules may survive during the star formation process and be incorporated into asteroids and comets, which could deliver them to planetary embryos through impacts and thus favor the emergence of life. It is, therefore, important to understand how these molecules form and how they evolve towards more complexity. Thanks to the high spatial resolution and high sensitivity of the interferometers ALMA and NOEMA, new opportunities were offered to astronomers to characterize the molecular complexity in low-mass star-forming regions. In particular, several new detections of complex molecules were obtained in the framework of the PILS program, an unbiased spectral survey of the solar-type protostar IRAS 16293-2422 with ALMA (e.g., Jørgensen et al. 2016, Lykke et al. 2017, Ligterink et al. 2017). Isotopologues of several complex molecules (D, 15N, 13C) were also detected for the first time in the interstellar medium (e.g., Coutens et al. 2016, 2018, Jørgensen et al. 2016), which helps constrain formation pathways of molecules. In this talk, I will especially mention the recent detection of cyanamide (NH2CN) and its deuterated form (Coutens et al. 2018). I will discuss what it teaches us regarding its formation in connection with formamide (NH2CHO) and why it would be interesting to search for its 15N isotopologues. References : Coutens et al. 2016, A&A, 590, L6 • Coutens et al. 2018, A&A, 612, A107 • Jørgensen et al. 2016, A&A, 595, A117 • Ligterink et al. 2017, MNRAS 469, 2219 • Lykke et al. 2017, A&A 597, A53 7 Formation mechanisms of prebiotic molecules in the interstellar medium D. Skouterisa, V. Baronea, N. Balucanib, C. Puzzarinic, C. Ceccarellid, F. Vazartd aScuola Normale Superiore, Pisa; bUniversit`adegli Studi di Perugia; cUniversity of Bologna; dInstitut de Planetologie et d'Astrophysique de Grenoble The search for the origin of prebiotic species in space is an ongoing discipline of enormous interest in astrochemistry and in the study of the origin of life. It has been shown that essentially all biological macromolecules can be envisaged as forming from relatively simple precursors, such as formamide, which are relatively common in interstellar clouds (ISCs). Yet, the formation of formamide and other simple prebiotic molecules is difficult to explain in the harsh environments of ISCs, where very low temperatures and number densities prevail. Dedicated experimental approaches have been developed to address prebiotic molecules formation mechanisms, in which either the low temperature or the low number density regimes are reproduced. Nevertheless, for some specific cases, the experimental techniques are difficult (if not impossible) to apply. For this reason, we have started a systematic investigation by using high-level electronic structure calculations coupled with kinetics cal- culations to elucidate the mechanisms of formation of complex organic molecules (COMs) of prebiotic interest which cannot be addressed experimentally. The mechanisms dis- cussed take place exclusively in the gas phase, starting from reactants which are rela- tively abundant in ISCs. The species discussed include formamide (a possible precursor of both aminoacids and nucleobases), glycolaldehyde (a prototype for sugars), acetic acid (a possible precursor of glycine) and formic acid. Dr. D. Skouteris wishes to thank the COST Action CM1401 "Our Astrochemical History", the Italian Ministero dell'Istruzione, Universit`ae Ricerca (MIUR FFABR17 SKOUTERIS) and the Scuola Normale Superiore (SNS RB SKOUTERIS) for financial support.