Hostname: page-component-586b7cd67f-vdxz6 Total loading time: 0 Render date: 2024-11-26T10:41:19.212Z Has data issue: false hasContentIssue false
  • English
  • Français

Surface astrochemistry: a computational chemistry perspective

Published online by Cambridge University Press:  04 September 2018

H. M. Cuppen Open the ORCID record for H. M. Cuppen [Opens in a new window] ,
A. Fredon ,
T. Lamberts ,
E. M. Penteado ,
M. Simons  and
C. Walsh Open the ORCID record for C. Walsh [Opens in a new window]
H. M. Cuppen
Affiliation:
Radboud University, Institute for Molecules and Materials email: [email protected]
A. Fredon
Affiliation:
Radboud University, Institute for Molecules and Materials email: [email protected]
T. Lamberts
Affiliation:
Computational Chemistry Group, Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
E. M. Penteado
Affiliation:
Radboud University, Institute for Molecules and Materials email: [email protected]
M. Simons
Affiliation:
Radboud University, Institute for Molecules and Materials email: [email protected]
C. Walsh
Affiliation:
School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT, UK Leiden Observatory, Leiden UniversityPO Box 9513, 2300 RA Leiden, The Netherlands
Rights & Permissions [Opens in a new window]

Abstract

Core share and HTML view are not available for this content. However, as you have access to this content, a full PDF is available via the ‘Save PDF’ action button.

Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst. Especially, saturated, hydrogen-rich molecules are formed through surface chemistry. Astrochemical models have developed over the decades to understand the molecular processes in the interstellar medium, taking into account grain surface chemistry. However, essential input information for gas-grain models, such as binding energies of molecules to the surface, have been derived experimentally only for a handful of species, leaving hundreds of species with highly uncertain estimates. Moreover, some fundamental processes are not well enough constrained to implement these into the models.

The proceedings gives three examples how computational chemistry techniques can help answer fundamental questions regarding grain surface chemistry.

Keywords

astrochemistrymolecular processesmethods: numericalISM: molecules
Type
Contributed Papers
Information
Proceedings of the International Astronomical Union , Volume 13 , Symposium S332: Astrochemistry VII: Through the Cosmos from Galaxies to Planets , March 2017 , pp. 293 - 304
Copyright
Copyright © International Astronomical Union 2018 

References

Arasa, C., Andersson, S., Cuppen, H. M., van Dishoeck, E. F., & Kroes, G., 2010, J. Chem. Phys., 132, 184510Google Scholar
Bacmann, A., Taquet, V., Faure, A., Kahane, C., & Ceccarelli, C., 2012, A&A, 541, L12Google Scholar
Boogert, A. A., Gerakines, P. A., & Whittet, D. C., 2015, Annual Review Astronomy and Astrophysics, 53, 541Google Scholar
Butscher, T., Duvernay, F., Theule, P., Danger, G., Carissan, Y., Hagebaum-Reignier, D., & Chiavassa, T., 2015, MNRAS, 453, 1587Google Scholar
Charnley, S. B. & Rodgers, S. B. 2009, in Astronomical Society of the Pacific Conference Series, Vol. 420, Bioastronomy 2007: Molecules, Microbes and Extraterrestrial Life, ed. Meech, K. J., Keane, J. V., Mumma, M. J., Siefert, J. L., & Werthimer, D. J., Proceedings of a workshop held 16-20 July 2007 in San Juan, Puerto Rico., 29, aSP Conference Series, Vol 420Google Scholar
Chuang, K. J., Fedoseev, G., Ioppolo, S., van Dishoeck, E. F., & Linnartz, H., 2016, MNRAS, 455, 1702Google Scholar
Cuppen, H. M., van Dishoeck, E. F., Herbst, E., & Tielens, A. G. G. M., 2009, A&A, 508, 275Google Scholar
Cuppen, H. M., Walsh, C., Lamberts, T., Semenov, D., Garrod, R. T., Penteado, E. M., & Ioppolo, S., 2017, Space Sci. Rev., pressGoogle Scholar
Drozdovskaya, M. N., Walsh, C., Visser, R., Harsono, D., & van Dishoeck, E. F., 2014, MNRAS, 445, 913Google Scholar
Drozdovskaya, M. N., Walsh, C., Visser, R., Harsono, D., & van Dishoeck, E. F., 2015, Mon. Not. R. Astron. Soc., 451, 3836Google Scholar
Dulieu, F., Congiu, E., Noble, J., Baouche, S., Chaabouni, H., Moudens, A., Minissale, M., & Cazaux, S., 2013, Sci. Reports, 3, 1338Google Scholar
Fedoseev, G., Cuppen, H. M., Ioppolo, S., Lamberts, T., & Linnartz, H., 2015, MNRAS, 448, 1288Google Scholar
Fredon, A., Lamberts, T., & Cuppen, H., 2017, ApJ, submittedGoogle Scholar
Fuchs, G. W., Cuppen, H. M., Ioppolo, S., Romanzin, C., Bisschop, S. E., Andersson, S., van Dishoeck, E. F., & Linnartz, H., 2009, A&A, 505, 629Google Scholar
Furuya, K., Drozdovskaya, M. N., Visser, R., van Dishoeck, E. F., Walsh, C., Harsono, D., Hincelin, U., & Taquet, V., 2016, A&A, pressGoogle Scholar
Garrod, R., Park, I. H., Caselli, P., & Herbst, E., 2006, Faraday Discussions, 133, 51Google Scholar
Garrod, R. T., 2013, ApJ, 765, 60Google Scholar
Garrod, R. T. & Herbst, E., 2006, A&A, 457, 927Google Scholar
Garrod, R. T. & Herbst, E., 2006, A&A, 457, 927Google Scholar
Garrod, R. T., Wakelam, V., & Herbst, E., 2007, A&A, 467, 1103Google Scholar
Garrod, R. T., Weaver, S. L. W., & Herbst, E., 2008, ApJ, 682, 283Google Scholar
Goldsmith, P. F. & Li, D., 2005, ApJ, 622, 938Google Scholar
Hasegawa, T. I., Herbst, E., & Leung, C. M., 1992, ApJS, 82, 167Google Scholar
Lamberts, T., de Vries, X., & Cuppen, H. M., 2014, Faraday Disc., 168, 327Google Scholar
Minissale, M., Dulieu, F., Cazaux, S., & Hocuk, S., 2016, A&A, 585, A24Google Scholar
Öberg, K. I., Boogert, A. C. A., Pontoppidan, K. M., Blake, G. A., Evans, N. J., Lahuis, F., & van Dishoeck, E. F., 2008, ApJ, 678, 1032Google Scholar
Penteado, E. M., Boogert, A. C. A., Pontoppidan, K. M., Ioppolo, S., Blake, G. A., & Cuppen, H. M., 2015, MNRAS, 454, 531Google Scholar
Penteado, E. M., Walsh, C. W., & Cuppen, H. M., 2016, ApJ, 2017, pressGoogle Scholar
Polanyi, J. C. 1986, Noble Lecture, ChemistryGoogle Scholar
Ruffle, D. P. & Herbst, E., 2000, MNRAS, 319, 837Google Scholar
Taquet, V., Ceccarelli, C., & Kahane, C., 2012, A&A, 538, A42Google Scholar
Vasyunin, A. I. & Herbst, E., 2013, ApJ, 762, 86Google Scholar
Wakelam, V., Herbst, E., Le Bourlot, J., Hersant, F., Selsis, F., & Guilloteau, S., 2010, A&A, 517, A21Google Scholar
Wakelam, V., Herbst, E., Selsis, F., & Massacrier, G., 2006, A&A, 459, 813Google Scholar
Walsh, C., Nomura, H., & van Dishoeck, E., 2015, A&A, 582, A88Google Scholar
Watanabe, N. & Kouchi, A., 2002, ApJ, 571, L173Google Scholar
Woods, P. M., Slater, B., Raza, Z., Viti, S., Brown, W. A., & Burke, D. J., 2013, ApJ, 777, 90Google Scholar