Superhydrogenated PAHs: Catalytic formation of H2

J. D. Thrower; L. Nilsson; B. Jørgensen; S. Baouche; R. Balog; A. C. Luntz; I. Stensgaard; E. Rauls; L. Hornekær

doi:10.1051/eas/1146047

Superhydrogenated PAHs: Catalytic formation of H2

J. D. Thrower^*, L. Nilsson, B. Jørgensen, S. Baouche, R. Balog, A. C. Luntz, I. Stensgaard, E. Rauls, L. Hornekær

^*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Conference article › Research › peer-review

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Abstract

The possible role of neutral PAHs as catalysts for H₂ formation in the interstellar medium is investigated by a combined experimental and density function theory study of the superhydrogenation of coronene (C ₂₄H₁₂). The calculations suggest efficient hydrogenation of both edge and centre sites, along with competing abstraction reactions to form H₂ in a series of catalytic cycles. Scanning tunneling microscopy and thermal desorption measurements have been used to provide direct evidence of the formation of superhydrogenated coronene as a result of exposure to D atoms. Lower limit estimates for the cross-sections of 1.8 × 10 ^-17, 5.5 × 10^-18 and 1.1 × 10^-18 cm² for the formation of singly, doubly and triply hydrogenated coronene are derived. The results suggest that superhydrogenated PAHs may play an important role in H₂ formation in the ISM.

Original language	English
Journal	E A S Publications Series
Pages (from-to)	453-460
Number of pages	8
ISSN	1633-4760
DOIs	https://doi.org/10.1051/eas/1146047
Publication status	Published - 2011
Event	PAHs and the Universe: A Symposium to Celebrate the 25th Anniversary of the PAH Hypothesis - Toulouse, France Duration: 31 May 2010 → 4 Jun 2010

Conference

Conference	PAHs and the Universe: A Symposium to Celebrate the 25th Anniversary of the PAH Hypothesis
Country/Territory	France
City	Toulouse
Period	31/05/2010 → 04/06/2010

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title = "Superhydrogenated PAHs: Catalytic formation of H2",

abstract = "The possible role of neutral PAHs as catalysts for H2 formation in the interstellar medium is investigated by a combined experimental and density function theory study of the superhydrogenation of coronene (C 24H12). The calculations suggest efficient hydrogenation of both edge and centre sites, along with competing abstraction reactions to form H2 in a series of catalytic cycles. Scanning tunneling microscopy and thermal desorption measurements have been used to provide direct evidence of the formation of superhydrogenated coronene as a result of exposure to D atoms. Lower limit estimates for the cross-sections of 1.8 × 10 -17, 5.5 × 10-18 and 1.1 × 10-18 cm2 for the formation of singly, doubly and triply hydrogenated coronene are derived. The results suggest that superhydrogenated PAHs may play an important role in H2 formation in the ISM.",

author = "Thrower, {J. D.} and L. Nilsson and B. J{\o}rgensen and S. Baouche and R. Balog and Luntz, {A. C.} and I. Stensgaard and E. Rauls and L. Hornek{\ae}r",

year = "2011",

doi = "10.1051/eas/1146047",

language = "English",

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journal = "E A S Publications Series",

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T1 - Superhydrogenated PAHs: Catalytic formation of H2

AU - Thrower, J. D.

AU - Nilsson, L.

AU - Jørgensen, B.

AU - Baouche, S.

AU - Balog, R.

AU - Luntz, A. C.

AU - Stensgaard, I.

AU - Rauls, E.

AU - Hornekær, L.

PY - 2011

Y1 - 2011

N2 - The possible role of neutral PAHs as catalysts for H2 formation in the interstellar medium is investigated by a combined experimental and density function theory study of the superhydrogenation of coronene (C 24H12). The calculations suggest efficient hydrogenation of both edge and centre sites, along with competing abstraction reactions to form H2 in a series of catalytic cycles. Scanning tunneling microscopy and thermal desorption measurements have been used to provide direct evidence of the formation of superhydrogenated coronene as a result of exposure to D atoms. Lower limit estimates for the cross-sections of 1.8 × 10 -17, 5.5 × 10-18 and 1.1 × 10-18 cm2 for the formation of singly, doubly and triply hydrogenated coronene are derived. The results suggest that superhydrogenated PAHs may play an important role in H2 formation in the ISM.

AB - The possible role of neutral PAHs as catalysts for H2 formation in the interstellar medium is investigated by a combined experimental and density function theory study of the superhydrogenation of coronene (C 24H12). The calculations suggest efficient hydrogenation of both edge and centre sites, along with competing abstraction reactions to form H2 in a series of catalytic cycles. Scanning tunneling microscopy and thermal desorption measurements have been used to provide direct evidence of the formation of superhydrogenated coronene as a result of exposure to D atoms. Lower limit estimates for the cross-sections of 1.8 × 10 -17, 5.5 × 10-18 and 1.1 × 10-18 cm2 for the formation of singly, doubly and triply hydrogenated coronene are derived. The results suggest that superhydrogenated PAHs may play an important role in H2 formation in the ISM.

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DO - 10.1051/eas/1146047

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SP - 453

EP - 460

JO - E A S Publications Series

JF - E A S Publications Series

T2 - PAHs and the Universe: A Symposium to Celebrate the 25th Anniversary of the PAH Hypothesis

Y2 - 31 May 2010 through 4 June 2010

ER -

Superhydrogenated PAHs: Catalytic formation of H2

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