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Aim. We investigate the role of PAHs as a sink for deuterium in the interstellar medium and study UV photolysis as a potential process in the variations of the deuterium fractionation in the ISM. Methods. The UV photo-induced fragmentation of various isotopologues of D-enriched, protonated anthracene and phenanthrene ions was recorded in a FTICR mass spectrometer. IRMPD spectroscopy using FELIX provided the IR spectra that were compared to DFT vibrational spectra; reaction barriers and rates were also calculated and related to the product abundances. Results. The mass spectra for both UV and IRMPD photolysis show the loss of H from [D-C$_{14}$H$_{10}$]$^+$, whereas [H-C$_{14}$D$_{10}$]$^+$ shows a strong preference for D loss. Calculations reveal facile 1,2-H and -D shift reactions, with barriers lower than the energy supplied by the photo-excitation process. Together with confirmation of the ground-state structures via the IR spectra, we determined that the photolytic processes in the 2 PAHs are largely governed by scrambling where the H and the D atoms relocate between different peripheral C atoms. The $sim$0.1 eV difference in zero-point energy between C-H and C-D bonds ultimately leads to faster H scrambling than D scrambling, and increased H atom loss compared to D. Conclusion. Scrambling is common in PAH cations under UV radiation. Upon photoexcitation of deuterium-enriched PAHs, the scrambling results in a higher probability for the aliphatic D atom to migrate to an aromatic site, protecting it from elimination. This could lead to increased deuteration as a PAH moves towards more exposed interstellar environments. Also, large, compact PAHs with an aliphatic C-HD group on solo sites might be responsible for the majority of aliphatic C-D stretching bands seen in astronomical spectra.
Interstellar polycyclic aromatic hydrocarbons (PAHs) are expected to be strongly processed by vacuum ultraviolet photons. Here, we report experimental studies on the ionization and fragmentation of coronene (C24H12), ovalene (C32H14) and hexa-peri-he
Recent analyses of Gaia data have provided direct evidence that most young stellar clusters are in a state of expansion, with velocities of the order of ~0.5 km/s. Traditionally, expanding young clusters have been pictured as entities that became unb
We study the PAH emission from protoplanetary disks. First, we discuss the dependence of the PAH band ratios on the hardness of the absorbed photons and the temperature of the stars. We show that the photon energy together with a varying degree of th
We constructed two new models for deuterium and spin-state chemistry for the purpose of modeling the low-temperature environment prevailing in starless and pre-stellar cores. The fundamental difference between the two models is in the treatment of io
IR emission bands at 3.3, 6.2, 7.7, 8.6 and 11.3 um are generally attributed to IR fluorescence from (mainly) FUV pumped PAHs. As such, they trace the FUV stellar flux and are a measure of star formation. We examined the IR spectral characteristics o