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VUV photoionisation of free azabenzenes: pyridine, pyrazine, pyrimidine, pyridazine and s-triazine
KTH, School of Engineering Sciences (SCI), Physics, Atomic and Molecular Physics.
CNR-IMIP, Montelibretti.
KTH, School of Engineering Sciences (SCI), Physics, Atomic and Molecular Physics.
Ion Reaction Laboratory, Department of Nuclear Medicine and Radiobiology, Faculty of Medicine and Health Sciences, Sherbrooke, Que. .
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2008 (English)In: International Journal of Mass Spectrometry, ISSN 1387-3806, E-ISSN 1873-2798, Vol. 275, no 1-3, 55-63 p.Article in journal (Refereed) Published
Abstract [en]

Photoionisation Mass spectrometry was used to obtain the fragmentation pathways of pyridine, pyridazine, pyrimidine, pyrazine and s-triazine molecules upon absorption of 23.0, 15.7 and 13.8eV synchrotron photons. The ionic fragments observed vary from molecule to molecule, however C2H2+, HCN+ and HCNH+ are common to all five molecules at the three photon energies. Furthermore, the presence of C2H2N2+,C3H3N+ and C4H4+ in the spectra of some of the molecules suggests dissociation pathways via loss of HCN moieties. The respective parent cations, m/q = 79, 80 and 81 have a greater yield at low photon energies when compared to the most intense fragment peak in each spectra. We recorded two of the fragment cation yields, as well as the parent photoion yield Curves of pyridine, pyridazine, and pyrimidine in the 8-30 eV range. The formation of abundant cation fragments show a strong propensity of the molecules for dissociation after the absorption of VUV photons higher than 14eV. The differences in relative fragment yields from molecule to molecule, and when changing the excitation energy, Suggest significant bond rearrangements and nuclear motion during the dissociation time. Thus, bond cleavage is dependent on the photon energy deposited in the molecule and on intramolecular reactivity. With the aid of photoion yield Curves and energy estimations we have assigned major peaks in the spectra and discussed their fragmentation pathways.

Place, publisher, year, edition, pages
2008. Vol. 275, no 1-3, 55-63 p.
Keyword [en]
gas phase, aromatic rings, photolysis, synchrotron radiation
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:kth:diva-8001DOI: 10.1016/j.ijms.2008.05.019ISI: 000258518200006Scopus ID: 2-s2.0-47549097714OAI: oai:DiVA.org:kth-8001DiVA: diva2:13203
Note
QC 20100916. Uppdaterad från submitted till published (20100916).Available from: 2008-02-20 Created: 2008-02-20 Last updated: 2017-12-14Bibliographically approved
In thesis
1. Synchrotron radiation studies of gas phase molecules: from hydrogen to DNA sugars
Open this publication in new window or tab >>Synchrotron radiation studies of gas phase molecules: from hydrogen to DNA sugars
2008 (English)Doctoral thesis, comprehensive summary (Other scientific)
Abstract [en]

This thesis summarises experimental results on the molecular spectroscopy of gas phase molecules excited by synchrotron radiation in the VUV and soft X-ray regions. We have used three different detection techniques, photon induced fluorescence spectroscopy, photoionisation mass spectroscopy and near edge X-ray absorption fine structure spectroscopy to study molecular deuterium, hydrogen sulphide, ammonia, methanol, pyridine, pyridazine, pyrimidine, pyrazine, s-triazine, and 2-deoxy-D-ribose, the last one also known as the DNA sugar. Out of this variety of techniques and molecules we have shown that: (1) high resolution dispersed fluorescence allows us to identify vibrational and rotational bands in molecular deuterium, as well as to estimate the predissociation probability of the same molecule [paper I]; (2) the main species fluorescing after core excitation of methane, ammonia [paper III], hydrogen sulphide [paper II], pyridine, pyrimidine and s-triazine is H Balmer α, followed by fluorescence from ionised species, molecular bands and Balmer β, γ , δ; (3) the Rydberg enhancement seen in fluorescence measurements of water [Melero et al. PRL 96 (2006) 063003], corroborated later in H2S [paper II], NH3 [paper III] and CH4 [paper III] and postulated as general behaviour for molecules formed by low-Z atoms, is also seen in larger organic cyclic molecules, e.g. azabenzenes; (4) when dissociative ionisation of pyridine, pyridazine, pyrimidine, pyrazine, s-triazine and 2-deoxy-D-ribose occurs, concerted bond rearrangement and nuclear motion takes place as opposed to stepwise dissociation [papers V and VI].

Place, publisher, year, edition, pages
Stockholm: KTH, 2008. x, 56 p.
Series
Trita-FYS, ISSN 0280-316X ; 2008:1
Keyword
KTH thesis, synchrotron radiation, gas phase, bio molecules
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:kth:diva-4640 (URN)978-91-7178-852-8 (ISBN)
Public defence
2008-03-13, FA31, Albanova, Roslagstullabacken 21, Stockholm, 10:15
Opponent
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Note
QC 20100916Available from: 2008-02-20 Created: 2008-02-20 Last updated: 2010-09-16Bibliographically approved

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