arXiv subjects

Heidy M. Quitián-Lara

Publications and source records attributed to Heidy M. Quitián-Lara.

3 recordsLinked to original sources

arXiv2026

Electron irradiation and temperature-programmed desorption of layered ethanolamine-water-methanol ices

Ethanolamine (EtA) is a recently detected interstellar complex organic molecule and a potential precursor to more functionalised N-bearing species. We investigate the electron-driven chemistry of layered EtA--H$_2$O--CH$_3$OH ices deposited at 20~K, combining 2~keV electron irradiation with subsequent temperature-programmed desorption (TPD) while monitoring the solid phase by mid-infrared spectroscopy. These controlled irradiation conditions represent a simplified laboratory analogue of the structural and energetic conditions within interstellar grain mantles. Volatile products released during warming were followed by quadrupole mass spectrometry, and the final residue was analysed by \textit{ex situ} electrospray ionisation mass spectrometry (ESI-MS). Irradiation produces abundant radiolysis products typical of processed methanol- and water-rich ices, including CO, CO$_2$, H$_2$CO, H$_2$O$_2$, NH$_3$, and OCN$^{-}$. Bands consistent with formic acid and polyoxymethylene-like material are also observed, indicating that carbonyl chemistry and formaldehyde-driven oligomerisation can occur alongside fragmentation in the layered system. Comparison with a choline chloride--H$_2$O reference reveals the emergence of features compatible with methylated EtA derivatives and/or choline-like species, while ESI-MS shows higher-$m/z$ mass families in the residue that are not reproduced in the substrate/background blank. However, spectral congestion and matrix effects preclude an unambiguous assignment of choline. Our results show that energetic processing of EtA-containing ices can generate a diverse inventory of O- and N-bearing products, providing laboratory constraints on radiation chemistry in cold, irradiated grain mantles under idealised conditions.

astro-ph.GA↗

arXiv2022

Multiply charged naphthalene and its C10H8 isomers: bonding, spectroscopy and implications in AGN environments

Naphthalene (C10H8) is the simplest polycyclic aromatic hydrocarbon (PAH) and an important component in a series of astrochemical reactions involving hydrocarbons. Its molecular charge state affects the stability of its isomeric structures, which is specially relevant in ionised astrophysical environments. We thus perform an extensive computational search for low-energy molecular structures of neutral, singly, and multiply charged naphthalene and its isomers with charge states +q = 0-4 and investigate their geometric properties and bonding situations. We find that isomerisation reactions should be frequent for higher charged states and that open chains dominate their low-energy structures. We compute both the scaled-harmonic and anharmonic infrared spectra of selected low-energy species and provide the calculated scaling factors for the naphthalene neutral, cation, and dication global minima. All simulated spectra reproduce satisfactorily the experimental data and, thus, are adequate for aiding observations. Moreover, the potential presence of these species in the emission spectra of the circumnuclear regions of active galactic nuclei (AGNs), with high energetic X-ray photon fluxes, is explored using the experimental value of the naphthalene photodissociation cross-section, σ_{ph-d}, to determine its half-life, t_{1/2}, at a photon energy of 2.5 keV in a set of relevant sources. Finally, we show that the computed IR bands of the triply and quadruply charged species are able to reproduce some features of the selected AGN sources.

astro-ph.GA↗

arXiv2019

Destruction and multiple ionization of PAHs by X-rays in circumnuclear regions of AGNs

The infrared signatures of polycyclic aromatic hydrocarbons (PAHs) are observed in a variety of astrophysical objects, including the circumnuclear medium of active galactic nuclei (AGNs). These are sources of highly energetic photons (0.2 to 10 keV), exposing the PAHs to a harsh environment. In this work, we examined experimentally the photoionization and photostability of naphthalene (C$_{10}$H$_{8}$), anthracene (C$_{14}$H$_{10}$), 2-methyl-anthracene (C$_{14}$H$_{9}$CH$_{3}$) and pyrene (C$_{16}$H$_{10}$) upon interaction with photons of 275, 310 and 2500 eV. The measurements were performed at the Brazilian Synchrotron Light Laboratory using time-of-flight mass-spectrometry (TOF-MS). We determined the absolute photoionization and photodissociation cross sections as a function of the incident photon energy; the production rates of singly, doubly and triply charged ions; and the molecular half-lives in regions surrounding AGNs. Even considering moderate X-ray optical depth values ($τ= 4.45$) due to attenuation by the dusty torus, the half-lives are not long enough to account for PAH detection. Our results suggest that a more sophisticated interplay between PAHs and dust grains should be present in order to circumvent molecular destruction. We could not see any significant difference in the half-life values by increasing the size of the PAH carbon backbone, N$_C$, from 10 to 16. However, we show that the multiple photoionization rates are significantly greater than the single ones, irrespective of the AGN source. We suggest that an enrichment of multiply charged ions caused by X-rays can occur in AGNs.

astro-ph.GA↗