The Extensive and Ubiquitous Role of Polycyclic Aromatic Hydrocarbons (PAHs) in Space

Deliverables

Documents, reports (29)

Conference: PAH meeting

PAH Meeting: An ESR organised and student attended conference (33)

Research: Electronic spectra

Electronic spectra of astrophysically relevant gas-phase PAH ions (42).

Research: Photooxidation rates

Photo-oxidation rates of PAHs in relevant aqueous environments (24)

Outreach: Travelling exposition ready

Outreach travelling exposition ready for delivery at, e.g., Researchers' Night (22)

Research: chemical kinetic model

Chemical kinetic model of PAH destruction in plasmas (42)

Research: Vib spectra

Vibrational spectra of astrophysically relevant PAH ions (36);

Website: Set up public outreach platform

Report on establishment of outreach subsection videos and articles presenting individual ESR projects uploaded on the network website 16

Research: Chemical evolution

Model for the chemical evolution of PAHs in aqueous environment of asteroids 12

Research: IR spectra

First vibrational spectra of gaseous PAH clusters (36)

Research: PAH fragmentation

Photochemistry and photophysics of acenes using OASIS apparatus (21);

Research: IR/UV spectra

First IR and VUV signatures of functionalized PAHs on grain surfaces (24);

Research: Binding energies (exp)

Experimental and theoretical binding energies of functionalized PAHs/acenes on/in (icy) grain surfaces (40)

Research: PAHs in plasmas

Analysis of species produced by PAH destruction in plasmas (24)

Research: Photophyscis of PAHs

Photo-fragmentation dynamics of large PAHs(30)

Research: PAHs and surfaces

PAH formation and structural evolution of PAHs on astrophysical grain surfaces (36)

Research: Photoreactivity (theo)

Photoreactivity of water cluster/ice or atomic hydrogen interacting with a PAH (24)

Research: Photo-processes (exp)

Identification of photon-induced release of simple species from functionalized PAHs (20)

Research: Binding energies (theo)

Calculated binding energies of functionalized PAHs on grain surfaces (24)

Research: Photochemical processing

Photochemical processing in an ice environment (16)

Research: A set of theoretical and methodological tools to appropriately conduct high quality ethnographic research into the processes of public engagement in the Europah project.

A set of theoretical and methodological tools to appropriately conduct high quality ethnographic research into the processes of public engagement in the Europah project. (21)

Admin: Evaluation report

A full evaluation report detailing the successes and otherwise of the network (48)

International PAH conference

International PAH meeting (40)

Research: Cross-sections

Crosssections for EleyRideal processes on functionalized PAHs 15

Outreach: Royal Society performance

Public performance of network's outreach package (22)

Outreach: Travelling exhibition displayed at 6 events

Report on the travelling exhibition displayed at 6 events.

Research: Functionalised PAHs

Identification of stable O, H and N functionalized PAH species (30)

Research: Photochemical evolution

Model for the photochemical evolution of PAHs in ices (36)

Admin: Progress Report

Progress report (13)

Research: Photocatalytic activity

Photocatalytic activity of PAHs measured (47)

Other (1)

Website: Set up website

Network website online (6)

Websites, patent fillings, videos etc. (1)

Website: archive of public outreach material

Post at least 40 short popular articles /videos on the website (48);

Open Research Data Pilot (1)

Admin: Data management plan

Data management plan (3)

Publications

Peer reviewed articles (39)

Hydrogen Arrangements on Defective Quasi-Molecular BN Fragments.

Author(s): Remedios Cortese; Dario Campisi; Dario Duca
Published in: ACS Omega, 6, 2019, ISSN 2470-1343
Publisher: American Chemical Society
DOI: 10.1021/acsomega.9b01445

Photo-processing of astro-PAHs

Author(s): C. Joblin, G. Wenzel, S. Rodriguez Castillo, A. Simon, H. Sabbah, A. Bonnamy, D. Toublanc, G. Mulas, M. Ji, A. Giuliani, L. Nahon
Published in: Journal of Physics: Conference Series, J. Phys.: Conf. Ser. 1412 062002 (2020), 2020, ISSN 1742-6588
Publisher: Institute of Physics
DOI: 10.1088/1742-6596/1412/6/062002

Far-IR Absorption of Neutral Polycyclic Aromatic Hydrocarbons (PAHs): Light on the Mechanism of IR–UV Ion Dip Spectroscopy

Author(s): Alexander K Lemmens, Daniël B Rap, Johannes MM Thunnissen, Sébastien Gruet, Amanda L Steber, Sanjana Panchagnula, Alexander GGM Tielens, Melanie Schnell, Wybren Jan Buma, Anouk M Rijs
Published in: J. Phys. Chem. Lett., 2020, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.0c02714

H 2 catalysis through superhydrogenation of interstellar polycyclic aromatic hydrocarbons

Author(s): Frederik Doktor S. Simonsen, Pernille A. Jensen, Anders W. Skov, Rijutha Jaganathan, John D. Thrower, Liv Hornekær
Published in: Proceedings of the International Astronomical Union, 15/S350, 2019, Page(s) 264-266, ISSN 1743-9213
Publisher: Cambridge University Press
DOI: 10.1017/s1743921320000034

Astrochemical relevance of VUV ionization of large PAH cations

Author(s): G. Wenzel, C. Joblin, A. Giuliani, S. Rodriguez Castillo, G. Mulas, M. Ji, H. Sabbah, S. Quiroga, D. Peña, L. Nahon
Published in: Astronomy & Astrophysics, A&A, 641, A98 (2020), 2020, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/202038139

Interstellar polycyclic aromatic hydrocarbons: Spectroscopy, photofragmentation and photoproducts

Author(s): Jordy Bouwman, Jerry Kamer, Pablo Castellanos, Michał Bulak, Sanjana Panchagnula, Junfeng Zhen, Arjen de Haas, Jos Oomens, Harold Linnartz, Alexander Tielens
Published in: Proceedings of the International Astronomical Union, 15/S350, 2019, Page(s) 353-355, ISSN 1743-9213
Publisher: Cambridge University Press
DOI: 10.1017/s174392131900752x

Structural Changes Induced by Quinones: High‐Resolution Microwave Study of 1, 4‐Naphthoquinone

Author(s): Shefali Saxena, Sanjana Panchagnula, M Eugenia Sanz, Cristóbal Pérez, Luca Evangelisti, Brooks H Pate
Published in: Chem-PhysChem, 2020, ISSN 1439-4235
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.202000665

Plasma reforming of biomass gasification tars using mixed naphthalene and toluene as model compounds

Author(s): D.H. Mei, Y.L. Wang, S.Y. Liu, M. Alliati, H.P. Yang, X. Tu
Published in: Energy Conversion and Management, 2019, ISSN 0196-8904
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.enconman.2019.05.002

The Infrared Spectrum of Protonated C 70

Author(s): Julianna Palotás, Jonathan Martens, Giel Berden, Jos Oomens
Published in: The Astrophysical Journal Letters, 909/2, 2021, Page(s) L17, ISSN 2041-8205
Publisher: Institute of Physics Publishing
DOI: 10.3847/2041-8213/abe874

The infrared spectrum of protonated buckminsterfullerene C60H+

Author(s): Julianna Palotás, Jonathan Martens, Giel Berden, Jos Oomens
Published in: Nature Astronomy, 4/3, 2020, Page(s) 240-245, ISSN 2397-3366
Publisher: Nature
DOI: 10.1038/s41550-019-0941-6

Ionic Species in a Naphthalene Plasma: Understanding Fragmentation Patterns and Growth of PAHs

Author(s): Martin Alliati, David Donaghy, Xin Tu, James W Bradley
Published in: The Journal of Physical Chemistry A, 123/10, 2019, Page(s) 2107-2113, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.9b00100

Plasma activation of CO2 in a dielectric barrier discharge: A chemical kinetic model from the microdischarge to the reactor scales

Author(s): Martin Alliati, Danhua Mei, Xin Tu
Published in: Journal of CO2 Utilization, 27, 2018, Page(s) 308-319, ISSN 2212-9820
Publisher: Elsevier BV
DOI: 10.1016/j.jcou.2018.07.018

Plasma reforming of toluene as a model tar compound from biomass gasification: effect of CO2 and steam

Author(s): Shiyun Liu, Danhua Mei, Yaolin Wang, Yichen Ma, Xin Tu
Published in: Waste Disposal & Sustainable Energy, 1/2, 2019, Page(s) 133-141, ISSN 2524-7980
Publisher: Springer
DOI: 10.1007/s42768-019-00011-1

Integrated gasification and non-thermal plasma-catalysis system for cleaner syngas production from cellulose

Author(s): M. Craven, Y.L. Wang, H.P. Yang, C.F. Wu, X. Tu
Published in: IOP SciNotes, 2020, ISSN 2633-1357
Publisher: IOPscience
DOI: 10.1088/2633-1357/aba7f6

Citizen science with colour blindness: A case study on the Forel-Ule scale

Author(s): Olivier Burggraaff, Sanjana Panchagnula, Frans Snik
Published in: PLOS ONE, 16/4, 2021, Page(s) e0249755, ISSN 1932-6203
Publisher: Public Library of Science
DOI: 10.1371/journal.pone.0249755

Structural investigation of doubly-dehydrogenated pyrene cations

Author(s): Sanjana Panchagnula, Jordy Bouwman, Daniël B. Rap, Pablo Castellanos, Alessandra Candian, Cameron Mackie, Shreyak Banhatti, Sandra Brünken, Harold Linnartz, Alexander G. G. M. Tielens
Published in: Physical Chemistry Chemical Physics, 22/38, 2020, Page(s) 21651-21663, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0cp02272a

The Sequence of Coronene Hydrogenation Revealed by Gas-phase IR Spectroscopy

Author(s): Stephanie Cazaux, Yann Arribard, Dmitrii Egorov, Julianna Palotás, Ronnie Hoekstra, Giel Berden, Jos Oomens, Thomas Schlathölter
Published in: The Astrophysical Journal, 875/1, 2019, Page(s) 27, ISSN 1538-4357
Publisher: IOP Publishing for the American Astronomical Society
DOI: 10.3847/1538-4357/ab0e01

CO 2 Hydrogenation at Atmospheric Pressure and Low Temperature Using Plasma-Enhanced Catalysis over Supported Cobalt Oxide Catalysts

Author(s): Maria Ronda-Lloret, Yaolin Wang, Paula Oulego, Gadi Rothenberg, Xin Tu, N. Raveendran Shiju
Published in: ACS Sustainable Chemistry & Engineering, 8/47, 2020, Page(s) 17397-17407, ISSN 2168-0485
Publisher: American Chemical Society
DOI: 10.1021/acssuschemeng.0c05565

Theoretical investigation of the electronic relaxation in highly excited chrysene and tetracene: The effect of armchair versus zigzag edge

Author(s): E. Posenitskiy, M. Rapacioli, D. Lemoine, F. Spiegelman
Published in: The Journal of Chemical Physics, 152, 074306, 2020, 2020, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5135369

Do defects in PAHs promote catalytic activity in space? Stone–Wales pyrene as a test case

Author(s): Dario Campisi, Alessandra Candian
Published in: Physical Chemistry Chemical Physics, 22/12, 2020, Page(s) 6738-6748, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp06523g

Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes

Author(s): Evgeny Posenitskiy, Mathias Rapacioli, Bruno Lepetit, Didier Lemoine, Fernand Spiegelman
Published in: Physical Chemistry Chemical Physics, 21/23, 2019, Page(s) 12139-12149, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp00603f

Gas-phase infrared spectroscopy of the rubicene cation (C 26 H 14 •+ )

Author(s): J. Bouwman, C. Boersma, M. Bulak, J. Kamer, P. Castellanos, A. G. G. M. Tielens, H. Linnartz
Published in: Astronomy & Astrophysics, 636, 2020, Page(s) A57, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/201937013

Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy

Author(s): Pavol Jusko, Aude Simon, Gabi Wenzel, Sandra Brünken, Stephan Schlemmer, Christine Joblin
Published in: Chemical Physics Letters, 698, 2018, Page(s) 206-210, ISSN 0009-2614
Publisher: Elsevier BV
DOI: 10.1016/j.cplett.2018.03.028

Direct Evidence of the Benzylium and Tropylium Cations as the two long-lived Isomers of C7H7+

Author(s): Pavol Jusko, Aude Simon, Shreyak Banhatti, Sandra Brünken, Christine Joblin
Published in: ChemPhysChem, 2018, ISSN 1439-4235
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.201800744

Effect of molecular structure on the infrared signatures of astronomically relevant PAHs

Author(s): J. Bouwman, P. Castellanos, M. Bulak, J. Terwisscha van Scheltinga, J. Cami, H. Linnartz, A. G. G. M. Tielens
Published in: Astronomy & Astrophysics, 621, 2019, Page(s) A80, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/201834130

Superhydrogenation of pentacene: the reactivity of zigzag-edges

Author(s): Dario Campisi, Frederik Doktor S. Simonsen, John D. Thrower, Rijutha Jaganathan, Liv Hornekær, Rocco Martinazzo, Alexander G. G. M. Tielens
Published in: Physical Chemistry Chemical Physics, 22/3, 2020, Page(s) 1557-1565, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp05440e

Enhanced reforming of mixed biomass tar model compounds using a hybrid gliding arc plasma catalytic process

Author(s): D.H. Mei, S.Y. Liu, Y.L. Wang, H.P. Yang, Z. Bo, X. Tu
Published in: Catalysis Today, 2019, ISSN 0920-5861
Publisher: Elsevier BV
DOI: 10.1016/j.cattod.2019.05.046

Photofragmentation of coronene cations

Author(s): Sanjana Panchagnula, Jordy Bouwman, Jerry Kamer, Harold Linnartz, Alexander Tielens
Published in: Proceedings of the International Astronomical Union, 15/S350, 2019, Page(s) 402-403, ISSN 1743-9213
Publisher: Cambridge University Press
DOI: 10.1017/s1743921319008068

Infrared action spectroscopy of doubly charged PAHs and their contribution to the aromatic infrared bands

Author(s): S. Banhatti, J. Palotás, P. Jusko, B. Redlich, J. Oomens, S. Schlemmer, S. Brünken
Published in: Astronomy & Astrophysics, 648, 2021, Page(s) A61, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/202039744

Solar-Enhanced Plasma-Catalytic Oxidation of Toluene over a Bifunctional Graphene Fin Foam Decorated with Nanofin-like MnO 2

Author(s): Zheng Bo, Shiling Yang, Jing Kong, Jinhui Zhu, Yaolin Wang, Huachao Yang, Xiaodong Li, Jianhua Yan, Kefa Cen, Xin Tu
Published in: ACS Catalysis, 10/7, 2020, Page(s) 4420-4432, ISSN 2155-5435
Publisher: American Chemical Society
DOI: 10.1021/acscatal.9b04844

Chemically-resolved determination of hydrogenated graphene–substrate interaction

Author(s): Anders L. Jørgensen, David A. Duncan, Claus F. P. Kastorp, Line Kyhl, Zeyuan Tang, Albert Bruix, Mie Andersen, Bjørk Hammer, Tien-Lin Lee, Liv Hornekær, Richard Balog
Published in: Physical Chemistry Chemical Physics, 21/25, 2019, Page(s) 13462-13466, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp02059d

Photoprocessing of large PAH cations

Author(s): Gabi Wenzel, Sarah Rodriguez Castillo, Giacomo Mulas, Ming-Chao Ji, Anthony Bonnamy, Hassan Sabbah, Alexandre Giuliani, Laurent Nahon, Christine Joblin
Published in: Proceedings of the International Astronomical Union, 15/S350, 2019, Page(s) 388-389, ISSN 1743-9213
Publisher: Cambridge University Press
DOI: 10.1017/s1743921319007063

Photolysis of acetonitrile in a water-rich ice as a source of complex organic molecules: CH 3 CN and H 2 O:CH 3 CN ices

Author(s): M. Bulak, D. M. Paardekooper, G. Fedoseev, H. Linnartz
Published in: Astronomy & Astrophysics, 647, 2021, Page(s) A82, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/202039695

Novel approach to distinguish between vacuum UV-induced ice photodesorption and photoconversion

Author(s): M. Bulak, D. M. Paardekooper, G. Fedoseev, H. Linnartz
Published in: Astronomy & Astrophysics, 636, 2020, Page(s) A32, ISSN 0004-6361
Publisher: Springer Verlag
DOI: 10.1051/0004-6361/201937298

The Interaction of Aromatic Molecules with Forsterite: Accuracy of Periodic DFT-D4 Method

Author(s): Dario Campisi, Thanja Lamberts, Nelson Y. Dzade, Rocco Martinazzo, Inge Loes ten Kate, and Alexander G. G. M. Tielens
Published in: Journal of Physical Chemistry A, 2021, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.1c02326

Plasma reforming of naphthalene as a tar model compound of biomass gasification

Author(s): Yaoling Wang, Haiping Yang, Xin Tu
Published in: Energy Conversion and Management, 187, 2019, Page(s) 593-604, ISSN 0196-8904
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.enconman.2019.02.075

Density-functional tight-binding: basic concepts and applications to molecules and clusters

Author(s): Fernand Spiegelman, Nathalie Tarrat, Jérôme Cuny, Leo Dontot, Evgeny Posenitskiy, Carles Martí, Aude Simon, Mathias Rapacioli
Published in: Advances in Physics: X, 5/1, 2020, Page(s) 1710252, ISSN 2374-6149
Publisher: Taylor & Francis
DOI: 10.1080/23746149.2019.1710252

Laboratory evidence for the formation of hydrogenated fullerene molecules

Author(s): J. D. Thrower, G. Pantazidis, M. Scheffler, F. D. S. Simonsen, P. A. Jensen, L. Hornekær
Published in: Proceedings of the International Astronomical Union, 15/S350, 2019, Page(s) 144-147, ISSN 1743-9213
Publisher: Cambridge University Press
DOI: 10.1017/s1743921319007567

Laboratory IR spectroscopy of protonated hexa-peri-hexabenzocoronene and dicoronylene

Author(s): Julianna Palotás, Jonathan Martens, Giel Berden, Jos Oomens
Published in: Journal of Molecular Spectroscopy, 378, 2021, Page(s) 111474, ISSN 0022-2852
Publisher: Academic Press
DOI: 10.1016/j.jms.2021.111474

Conference proceedings (1)

Deuteration of C60 on a highly oriented pyrolytic graphite surface

Author(s): G. Pantazidis, M. Scheffler, F. D. S. Simonsen, A. Cassidy, P. A. Jensen L. Hornekær and J. D. Thrower
Published in: Proceedings of the International Astronomical Union, 2019
Publisher: Cambridge University Press
DOI: 10.1017/s1743921320000344