Interstellar dehydrogenated PAH anions: vibrational spectra
Interstellar Polycyclic Aromatic Hydrocarbon (PAH) molecules exist in diverse forms depending on the local physical environment. Formation of ionized PAHs (anions and cations) is favourable in the extreme conditions of the ISM. Besides in their pure form, PAHs are also likely to exist in substituted...
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Oxford University Press
2018
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| Online Access: | https://eprints.nottingham.ac.uk/49030/ |
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| author | Buragohain, Mridusmita Pathak, Amit Sarre, Peter Kishor Gour, Nand |
| author_facet | Buragohain, Mridusmita Pathak, Amit Sarre, Peter Kishor Gour, Nand |
| author_sort | Buragohain, Mridusmita |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | Interstellar Polycyclic Aromatic Hydrocarbon (PAH) molecules exist in diverse forms depending on the local physical environment. Formation of ionized PAHs (anions and cations) is favourable in the extreme conditions of the ISM. Besides in their pure form, PAHs are also likely to exist in substituted forms; for example, PAHs with functional groups, dehydrogenated PAHs etc. A dehydrogenated PAH molecule might subsequently form fullerenes in the ISM as a result of ongoing chemical processes. This work presents a Density Functional Theory (DFT) calculation on dehydrogenated PAH anions to explore the infrared emission spectra of these molecules and discuss any possible contribution towards observed IR features in the ISM. The results suggest that dehydrogenated PAH anions might be significantly contributing to the 3.3 μm region. Spectroscopic features unique to dehydrogenated PAH anions are highlighted that may be used for their possible identification in the ISM. A comparison has also been made to see the size effect on spectra of these PAHs. |
| first_indexed | 2025-11-14T20:11:20Z |
| format | Article |
| id | nottingham-49030 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T20:11:20Z |
| publishDate | 2018 |
| publisher | Oxford University Press |
| recordtype | eprints |
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| spelling | nottingham-490302018-01-11T12:13:27Z https://eprints.nottingham.ac.uk/49030/ Interstellar dehydrogenated PAH anions: vibrational spectra Buragohain, Mridusmita Pathak, Amit Sarre, Peter Kishor Gour, Nand Interstellar Polycyclic Aromatic Hydrocarbon (PAH) molecules exist in diverse forms depending on the local physical environment. Formation of ionized PAHs (anions and cations) is favourable in the extreme conditions of the ISM. Besides in their pure form, PAHs are also likely to exist in substituted forms; for example, PAHs with functional groups, dehydrogenated PAHs etc. A dehydrogenated PAH molecule might subsequently form fullerenes in the ISM as a result of ongoing chemical processes. This work presents a Density Functional Theory (DFT) calculation on dehydrogenated PAH anions to explore the infrared emission spectra of these molecules and discuss any possible contribution towards observed IR features in the ISM. The results suggest that dehydrogenated PAH anions might be significantly contributing to the 3.3 μm region. Spectroscopic features unique to dehydrogenated PAH anions are highlighted that may be used for their possible identification in the ISM. A comparison has also been made to see the size effect on spectra of these PAHs. Oxford University Press 2018-03-11 Article PeerReviewed application/pdf en https://eprints.nottingham.ac.uk/49030/8/stx3060.pdf Buragohain, Mridusmita, Pathak, Amit, Sarre, Peter and Kishor Gour, Nand (2018) Interstellar dehydrogenated PAH anions: vibrational spectra. Monthly Notices of the Royal Astronomical Society, 474 (4). pp. 4594-4602. ISSN 1365-2966 Lines and bands; ISM: molecules; ISM: astrochemistry; Physical data and processes; Molecular processes https://academic.oup.com/mnras/article/474/4/4594/4668421 doi:10.1093/mnras/stx3060 doi:10.1093/mnras/stx3060 |
| spellingShingle | Lines and bands; ISM: molecules; ISM: astrochemistry; Physical data and processes; Molecular processes Buragohain, Mridusmita Pathak, Amit Sarre, Peter Kishor Gour, Nand Interstellar dehydrogenated PAH anions: vibrational spectra |
| title | Interstellar dehydrogenated PAH anions: vibrational
spectra |
| title_full | Interstellar dehydrogenated PAH anions: vibrational
spectra |
| title_fullStr | Interstellar dehydrogenated PAH anions: vibrational
spectra |
| title_full_unstemmed | Interstellar dehydrogenated PAH anions: vibrational
spectra |
| title_short | Interstellar dehydrogenated PAH anions: vibrational
spectra |
| title_sort | interstellar dehydrogenated pah anions: vibrational
spectra |
| topic | Lines and bands; ISM: molecules; ISM: astrochemistry; Physical data and processes; Molecular processes |
| url | https://eprints.nottingham.ac.uk/49030/ https://eprints.nottingham.ac.uk/49030/ https://eprints.nottingham.ac.uk/49030/ |