arXiv subjects

Aigen Li

Publications and source records attributed to Aigen Li.

At least 19 recordsLinked to original sources

arXiv2026

Detection of Aliphatically Deuterated Aromatic Hydrocarbons in the Large Magellanic Cloud 30 Doradus Star-Forming Complex

The unidentified infrared (IR) emission (UIE) bands at 3.3, 6.2, 7.7, 8.6, 11.3 and 12.7 micron are ubiquitously seen in a wide variety of astrophysical environments. While the exact assignment of these UIE bands remains controversial, they are generally ascribed to C--H and C--C stretching and bending vibrations of aromatic hydrocarbon molecules. Here, based on observations made with the Near Infrared Spectrograph (NIRSpec) and the Mid Infrared Instrument (MIRI) aboard the James Webb Space Telescope (JWST), we report that the UIE emitters in the 30 Doradus star-forming complex in the Large Magellanic Cloud (LMC) are deuterated and have an appreciable amount of aliphatic content. The spatially resolved NIRSpec and MIRI spectra of 30 Doradus reveal a widespread detection of the 3.4 and 6.85 micron emission features attributed to aliphatic C--H stretch and deformation, respectively, as well as the 4.65 micron feature attributed to aliphatic C--D stretch. Notably, the 6.85 micron feature exhibits three complex substructures at ~6.83, 6.86 and 6.88 micron that have never been reported before.

astro-ph.GA↗

arXiv2026

Aromatics and Aliphatics in Local Star-Forming Galaxies as Probed by AKARI

Polycyclic aromatic hydrocarbon (PAH) molecules are abundant and widespread in galaxies and their infrared (IR) emission traces star formation. PAH molecules in astronomical environments often have aliphatic contents as revealed by the detection of the 3.4 micron aliphatic C--H stretch, a weak satellite feature accompanying the 3.3 micron aromatic C--H stretch. Here, we selected 102 local star-forming galaxies from the AKARI archive, including 66 galaxies each of which hosts an active galactic nucleus (AGN). We analyzed their AKARI near-IR spectra, which exhibit pronounced 3.3 micron aromatic and 3.4 micron aliphatic C--H emission. We also compiled their multi-wavelength photometric data and performed a decompositional analysis of their spectral energy distributions (SEDs) from the ultraviolet (UV) to the far-IR to derive the star formation rates (SFRs), stellar masses, metallicities, and luminosity of the galaxies. We explored the 3.3 micron PAH emission luminosity ($L_{3.3}$) as a calibrator of the SFR and found a close agreement with previous studies. We also found that $L_{3.3}/L_{\rm IR}$ and $L_{3.4}/L_{\rm IR}$ exhibit a strong dependence on metallicity, but remain nearly constant above 12+log(O/H)$\sim\,$8.5, where $L_{\rm IR}$ is the total luminosity emitted by dust, and $L_{3.4}$ is the luminosity of the 3.4 micron aliphatic emission. We derived from $L_{3.4}/L_{3.3}$ the PAH aliphatic fractions, defined as the fractions of carbon atoms in aliphatic units, to be in the range of $\sim\,$0.38%--6.8%, with a median fraction of $\sim\,$3.1%. The PAH aliphatic fractions are lower in AGN hosts and show a weak negative correlation with the SFR and $L_{\rm IR}$, suggesting that UV photons in regions with AGN or strong star formation activities may photodissociate the aliphatic structures associated with PAH molecules.

astro-ph.GA↗

arXiv2026

Anharmonic Infrared Emission of Cyano-Substituted Polycyclic Aromatic Hydrocarbon Molecules: Cyanonaphthalenes as a Case Study

Recent detections of cyano-substituted polycyclic aromatic hydrocarbons (cyano-PAHs) highlight them as key tracers of nitrogen heterocycles in the interstellar medium (ISM). However, their infrared (IR) identification requires anharmonic vibrational radiative models that account for dynamic cooling across diverse environments. We provide IR cascade emission spectra for neutral, cationic, and anionic 1- and 2-cyanonaphthalene (1- and 2-CNN) under representative astrophysical conditions, investigating how charge states and substitution positions modulate anharmonic profiles and energy redistribution during IR cascades. Using B3LYP/N07D with Second-order Vibrational Perturbation Theory (VPT2), we computed anharmonic properties and applied an optimized microcanonical sampling algorithm to calculate vibrational density of states and model environment-dependent cascade spectra. Results show that charge states strongly tune the CN nitrile band: anion intensity is enhanced by an order of magnitude compared to neutrals, whereas cation intensity is slightly weaker. 1- and 2-CNN present distinct isomeric signatures: 1-CNN displays a complex "red-wing" structure in the 3.3-micron C-H stretch due to peri-hydrogen interactions, whereas 2-CNN yields a more symmetric profile. We evaluated the fractional energy emitted via the CN stretch relative to total cascade emissivity across charge states and environments. Combined with observed CN fluxes, these fractions provide a quantitative tool to constrain cyano-PAH abundances. By bridging laboratory benchmarks with dynamic interstellar emission, this work delivers accurate anharmonic fingerprints to guide JWST observational analysis.

astro-ph.GA↗

arXiv2026

Widespread Detection of Aromatic and Aliphatic Emission in the Dual Quasar J0749+2255 at Cosmic Noon

Based on JWST/MIRI integral field observations, we report a widespread detection of aromatic and aliphatic hydrocarbon emission at rest-frame 3.3 and 3.4 micron in SDSSJ074922.96+225511.7 (hereafter J0749+2255), a dual quasar at redshift z~2.17, corresponding to a cosmic age of ~3 billion years after the Big Bang, a time period known as the "cosmic noon" when star formation and black hole growth peak. With the 3.3 micron emission ascribed to aromatic C--H stretches of small PAH molecules and the 3.4 micron emission assigned to aliphatic C--H stretches of aliphatic sidegroups attached to PAHs, we utilize the observed intensities of the 3.3 and 3.4 micron emission bands to estimate the aliphatic fractions of PAHs and their variations across J0749+2255, which is, to our knowledge, the most distant object to date in which both aromatics and aliphatics have ever been detected. We find that both the 3.3 and 3.4 micron emission bands are pronounced and the aliphatic fractions are surprisingly high in the most luminous regions centered on the two quasar nuclei, suggesting that not only small PAHs (of ~20--30 carbon atoms) but also their attached aliphatic sidegroups survive in intense ultraviolet radiation arising from extreme starburst.

astro-ph.GA↗

arXiv2026

Ultraviolet Interstellar Extinction toward High Galactic Latitudes

Nearby high Galactic latitude clouds provide a unique laboratory to study the physics and structure of the Galactic interstellar medium (ISM) and the properties of the interstellar dust. In this work, we select 32 sightlines toward reddened background stars at high Galactic latitudes with |b| > 20 degr, for which high-quality spectra from the International Ultraviolet Explorer are available. We utilize the "pair-method" to derive the ultraviolet interstellar extinction curves for these sightlines. We examine the extinction properties of these sightlines and find no systematic variations with the Galactic latitudes, although they do show appreciable sightline-to-sightline variations.

astro-ph.GA↗

arXiv2026

Interstellar X-ray Absorption and Scattering

Accurate estimates of the absorption of X-rays by interstellar gas and dust are of crucial importance for the analysis and interpretation of almost all astronomical soft X-ray observations. However, the present X-ray absorption data extensively used by the community were derived from a reduced interstellar abundance (~70% of solar) and ignoring dust scattering. Therefore, these X-ray absorption data, although highly popular, could have been substantially underestimated. Here we update the interstellar X-ray absorption and scattering by making use of updated atomic cross sections, updated interstellar abundances, and realistic X-ray dust physics, and appropriately distributing metal elements in gas and dust. The resulting X-ray absorption and scattering data are publicly available on GitHub.

astro-ph.GA↗

arXiv2026

On the Interstellar Extinction Curve toward HD 93222, A Sightline with an Exceedingly Narrow 2175 Angstrom Extinction Bump

The 2175 Angstrom extinction bump, the most prominent spectral feature superimposed on the interstellar extinction curve, is widely seen in the interstellar medium (ISM) of the Milky Way and external galaxies, both near and far. While its central wavelength is remarkably stable and independent with environment, its width shows considerable variation and environmental dependence. Here we examine the extinction curve for the line of sight toward HD 93222, a young star located in the Carina nebula. It is found that the 2175 Angstrom bump is extremely sharp, which is among the narrowest ever found in the Milky Way and external galaxies. We model the derived extinction curve and find that, to explain the extinction characteristics of HD 93222, in addition to the conventional silicate and graphite dust mixture, an additional population of nano-sized graphitic grains is required.

astro-ph.GA↗

arXiv2025

Optical and Near-Infrared Spectroscopy of the Outbursting Comet 12P/Pons-Brooks

We present optical and near-infrared (NIR) observations of the outbursting, Halley-type comet 12P/Pons-Brooks. Three NIR spectra were obtained during two outbursts in October and November 2023, with the 3-meter Infrared Telescope Facility and the Palomar 200-inch Telescope, respectively. The NIR spectra exhibited absorption features at 1.5 and 2.0 $\mu$m, consistent with the diagnostic absorption bands of water ice, superimposed on a red dust-scattering continuum. We find that the absorption bands and the red continuum can be well explained by micrometer-sized crystalline ice at 140--170 K, along with sub-micrometer-sized refractory grains (e.g., amorphous carbon). In addition, an optical spectrum was obtained with the Lijiang 2.4-meter Telescope during the November 2023 outburst, which exhibited the emission bands of gaseous CN, C$_3$, C$_2$ and NH$_2$. The C$_3$/CN and C$_2$/CN ratios suggest that 12P/Pons-Brooks was ''typical'' in C$_3$ abundance but somewhat depleted in C$_2$. The specific kinetic energy of the 2023 November outburst is estimated to be $\sim8\times10^3$ J kg$^{-1}$, suggesting a likely triggering mechanism similar to 332P/Ikeya--Murakami and 17P/Holmes, i.e., the crystallization of amorphous water ice. A refractory-to-ice ratio of $\sim$1.7--3.2 is derived from the total mass loss of dust and gas, aligning with the lower-end estimates for 67P/Churyumov-Gerasimenko and 1P/Halley. This suggests either a less evolved nucleus or an outburst region enriched in icy materials relative to the bulk nucleus.

astro-ph.EP↗

arXiv2025

Investigating silicate, carbon, and water in the diffuse interstellar medium: the first shots from WISCI

The dusty interstellar medium (ISM) of the Milky Way is distributed in a complex, cloudy structure. It is fundamental to the radiation balance within the Milky Way, provides a reaction surface to form complex molecules, and is the feedstock for future generations of stars and planets. The life cycle of interstellar dust is not completely understood, and neither are its structure nor composition. The abundance, composition, and structure of dust in the diffuse ISM can be determined by combining infrared, optical and ultraviolet spectroscopy. JWST enables measurement of the faint absorption of ISM dust grains against bright stars at kiloparsec distances across the infrared spectrum. Here we present an overview of the project `Webb Investigation of Silicates, Carbons, and Ices' (WISCI) along with interpretation of two targets, GSC 08152-02121 and CPD-59 5831. Observations of 12 WISCI target stars were taken by JWST, the Hubble Space Telescope, Himalayan Chandra Telescope, and the Very Large Telescope. We use these to characterize the targets' spectral types and calculate their line-of-sight extinction parameters, $A_{\rm V}$ and $R_{\rm V}$. We find absorption in the JWST spectra of GSC 08152-02121, and CPD-59 5831 associated with carbonaceous dust around 3.4 and 6.2 micron and amorphous silicates at 9.7 micron. In GSC 08152-02121 we also find indications of absorption by trapped water around 3 micron. This first look from WISCI demonstrates the line-of-sight variability within the sample, and the program's potential to identify and correlate features across ultraviolet to mid-infrared wavelengths.

astro-ph.GA↗

arXiv2025

Infrared Emission of Polycyclic Aromatic Hydrocarbon Molecules in Titan: Cyanonaphthalenes

As the only moon in the solar system with a thick atmosphere, Titan is a compelling and enigmatic world containing a complex organic haze. Polycyclic aromatic hydrocarbon (PAH) molecules are believed to play an essential role in the formation of Titan's aerosols and haze layers. The existence of PAHs in Titan's upper atmosphere has been revealed by the detection of the 3.28-micron emission band with Cassini's Visual and Infrared Mapping Spectrometer (VIMS). However, there is little knowledge about the identity, composition, size and abundance of PAH molecules in Titan's atmosphere. Due to its unprecedented sensitivity and spectral coverage and resolution, the advent of the James Webb Space Telescope (JWST) could possibly enable a full characterization of the chemical makeups of Titan's aerosols. In particular, with a much better spectral resolution than Cassini's VIMS, JWST's Near Infrared Spectrograph (and Mid Infrared Instrument) could enable the spectral bands to be better resolved, potentially providing crucial information about which PAHs are really present in Titan's upper atmosphere. To facilitate JWST to search for and identify Titan's PAH molecules, we are performing a systematic study of the photophysics of PAHs in Titan's upper atmosphere. As a pilot study, here we report the infrared emission spectra of vibrationally excited cyanonapthalenes and their ions which are composed of two fused benzene rings and one nitrile (-CN) group. The calculated emission spectra will help JWST to quantitatively determine or place an upper limit on the abundances of cyanonapthalenes in Titan's upper atmosphere.

astro-ph.EP↗

arXiv2025

Deuterated Polycyclic Aromatic Hydrocarbons in the Interstellar Medium: Constraints from the Orion Bar as Observed by the James Webb Space Telescope

The gas-phase abundances of deuterium (D) in the local interstellar medium (ISM) exhibit considerable regional variations. Particularly, in some regions the gas-phase D abundances are substantially lower than the primordial D abundance generated in the Big Bang, after subtracting the astration reduction caused by the Galactic chemical evolution. Deuterated polycyclic aromatic hydrocarbon (PAH) molecules have been suggested as a potential reservoir of the D atoms missing from the gas-phase. Recent observations from the James Webb Space Telescope's Near Infrared Spectrograph have revealed the widespread of deuterated PAHs in the Orion Bar through their aliphatic C--D emission at 4.65${\,{\rm \mu m}}$ and possibly aromatic C--D emission at 4.4${\,{\rm \mu m}}$ as well. To examine the viability of deuterated PAHs as the D reservoir, we model the infrared (IR) emission spectra of small PAH molecules containing various aromatic and aliphatic D atoms in the Orion Bar. We find that small deuterated PAHs exhibit a noticeable emission band at 4.4 or 4.65${\,{\rm \mu m}}$ even if they contain only one aromatic or aliphatic D atom. We derive ${{N_{\rm D,ali}}}/{N_{\rm H}}\approx3.4\%$, the deuteration degree of PAHs measured as the number of aliphatic D atoms (relative to H), from the observed intensity ratios of the 4.65${\,{\rm \mu m}}$ band to the 3.3${\,{\rm \mu m}}$ aromatic C--H band. The deuteration degree for aromatically-deuterated PAHs is less certain as C--N stretch also contributes to the observed emission around 4.4${\,{\rm \mu m}}$. If we attribute it exclusively to aromatic C--D, we derive an upper limit of $\approx14\%$ on the deuteration degree, which is capable of accounting for an appreciable fraction of the missing D budget.

astro-ph.GA↗

arXiv2025

Unveiling the Aromatic and Aliphatic Universe at Redshifts $z\sim$0.2--0.5 with JWST NIRCam/WFSS

Utilizing deep NIRCam/WFSS data from JWST's FRESCO program, we spectroscopically survey the 3.3 $\mu m$ aromatic and 3.4 $\mu m$ aliphatic C--H stretching emission bands of polycyclic aromatic hydrocarbon (PAH) molecules in galaxies at redshifts $z$$\sim$0.2--0.5. Unlike pre-JWST studies, largely limited to infrared (IR)-bright galaxies ($L_{\rm IR}\gtrsim10^{11}~L_\odot$) at $z\lesssim0.1$, we probe 200 galaxies down to $L_{\rm IR}$$\sim$$10^{8.5}$--$10^{10}~L_\odot$ well beyond the local Universe. The 3.3 $\mu m$ emission is detected at $\geq$3-$\sigma$ in 88 out of 187 galaxies, correlating tightly with galaxy IR luminosity and star formation rate (SFR) and confirming the 3.3 $\mu m$ PAH as a viable SFR tracer. Despite a large scatter, the 3.3 $\mu m$-to-IR luminosity ratio ($L_{3.3}/L_{\rm IR}$) exhibits a strong metallicity dependence with a drop of $L_{3.3}/L_{\rm IR}$ by a factor of $\gtrsim10$ at 12+log(O/H)$\sim$8.4--8.5 towards lower metallicities. The 3.4 $\mu m$ emission is detected in 37 out of 159 galaxies, with the 3.4 $\mu m$-to-3.3 $\mu m$ luminosity ratio ($L_{3.4}/L_{3.3}$) spanning from $\sim$0.05 to $\sim$0.58 (median $\sim$0.19), corresponding to PAH aliphatic fractions of $\sim$0.78%--8.3% (median $\sim$2.9%) in terms of fractional carbon atoms in aliphatic units. While $L_{3.4}/L_{3.3}$ does not depend significantly on redshift, stellar mass, metallicity, or galaxy morphology, it does decrease with various SFR tracers, suggesting that ultraviolet photons in active star-forming regions may strip aliphatic sidegroups from PAH molecules. Our study showcases the unique power of JWST's NIRCam/WFSS to systematically map PAH aromatic and aliphatic content in statistically significant, less-biased galaxy samples, providing critical insights into PAH chemistry and its connection to galaxy properties.

astro-ph.GA↗

arXiv2025

Interstellar dust revealed by light from cosmic dawn

The obscuration of light from a distant galaxy has raised the possibility that a type of carbon dust existed in the earliest epochs of the Universe -- challenging the idea that stars had not yet evolved enough to make such material.

astro-ph.GA↗

arXiv2025

Polycyclic Aromatic Hydrocarbon and the Ultraviolet Extinction Bump at the Cosmic Dawn

First detected in 1965, the mysterious ultraviolet (UV) extinction bump at 2175 Angstrom is the most prominent spectroscopic feature superimposed on the interstellar extinction curve. Its carrier remains unidentified over the past six decades ever since its first detection, although many candidate materials have been proposed. Widely seen in the interstellar medium (ISM) of the Milky Way as well as several nearby galaxies, this bump was recently also detected by the James Webb Space Telescope (JWST) at the cosmic dawn in JADES-GS-z6-0, a distant galaxy at redshift z~6.71, corresponding to a cosmic age of just 800 million years after the Big Bang. Differing from that of the known Galactic and extragalactic interstellar sightlines which always peak at ~2175 Angstrom, the bump seen at z~6.71 in JADES-GS-z6-0 peaks at an appreciably longer wavelength of ~2263 Angstrom and is the narrowest among all known Galactic and extragalactic extinction bumps. Here we show that the combined electronic absorption spectra quantum-chemically computed for a number of polycyclic aromatic hydrocarbon (PAH) molecules closely reproduce the bump detected by JWST in JADES-GS-z6-0. This suggests that PAH molecules have already been pervasive in the Universe at an epoch when asymptotic giant branch stars have not yet evolved to make dust.

astro-ph.GA↗

arXiv2025

What causes the ultraviolet extinction bump at the cosmic dawn?

The enigmatic ultraviolet (UV) extinction bump at 2175 Angstrom, the strongest spectroscopic absorption feature superimposed on the interstellar extinction curve, has recently been detected at the cosmic dawn by the James Webb Space Telescope (JWST) in JADES-GS-z6-0, a distant galaxy at redshift z=6.71, corresponding to a cosmic age of just 800 million years after the Big Bang. Although small graphite grains have historically long been suggested as the carrier of the 2175 Angstrom extinction bump and graphite grains are expected to have already been pervasive in the early Universe, in this work we demonstrate that small graphite grains are not responsible for the UV extinction bump seen at the cosmic dawn in JADES-GS-z6-0, as the extinction bump arising from small graphite grains is too broad and peaks at wavelengths that are too short to be consistent with what is seen in JADES-GS-z6-0.

astro-ph.GA↗

arXiv2024

Where Have All the Sulfur Atoms Gone? Polycyclic Aromatic Hydrocarbon as a Possible Sink for the Missing Sulfur in the Interstellar Medium. I. The C--S Band Strengths

Despite its biogeneic and astrochemical importance, sulfur (S), the 10th most abundant element in the interstellar medium (ISM) with a total abundance of S/H~2.2E-5, largely remains undetected in molecular clouds. Even in the diffuse ISM where S was previously often believed to be fully in the gas phase, in recent years observational evidence has suggested that S may also be appreciably depleted from the gas. What might be the dominant S reservoir in the ISM remains unknown. Solid sulfides like MgS, FeS and SiS_2 are excluded as a major S reservoir due to the undetection of their expected infrared spectral bands in the ISM. In this work, we explore the potential role of sulfurated polycyclic aromatic hydrocarbon (PAH) molecules -- PAHs with sulfur heterocycles (PASHs) -- as a sink for the missing S. Utilizing density function theory, we compute the vibrational spectra of 18 representative PASH molecules. It is found that these molecules exhibit a prominent, C--S stretching band at ~10 micron and two relatively weak, C--S deformation bands at 15 and 25 micron that are not mixed with the nominal PAH bands at 6.2, 7.7, 8.6, 11.3 and 12.7 micron If several parts per million of S (relative to H) are locked up in PAHs, the 10 micron C--S band would be detectable by Spitzer and JWST. To quantitatively explore the amount of S/H depleted in PASHs, detailed comparison of the infrared emission spectra of PASHs with the Spitzer and JWST observations is needed.

astro-ph.GA↗

arXiv2024

PDRs4All VIII: Mid-IR emission line inventory of the Orion Bar

Mid-infrared emission features probe the properties of ionized gas, and hot or warm molecular gas. The Orion Bar is a frequently studied photodissociation region (PDR) containing large amounts of gas under these conditions, and was observed with the MIRI IFU aboard JWST as part of the "PDRs4All" program. The resulting IR spectroscopic images of high angular resolution (0.2") reveal a rich observational inventory of mid-IR emission lines, and spatially resolve the substructure of the PDR, with a mosaic cutting perpendicularly across the ionization front and three dissociation fronts. We extracted five spectra that represent the ionized, atomic, and molecular gas layers, and measured the most prominent gas emission lines. An initial analysis summarizes the physical conditions of the gas and the potential of these data. We identified around 100 lines, report an additional 18 lines that remain unidentified, and measured the line intensities and central wavelengths. The H I recombination lines originating from the ionized gas layer bordering the PDR, have intensity ratios that are well matched by emissivity coefficients from H recombination theory, but deviate up to 10% due contamination by He I lines. We report the observed emission lines of various ionization stages of Ne, P, S, Cl, Ar, Fe, and Ni, and show how certain line ratios vary between the five regions. We observe the pure-rotational H$_2$ lines in the vibrational ground state from 0-0 S(1) to 0-0 S(8), and in the first vibrationally excited state from 1-1 S(5) to 1-1 S(9). We derive H$_2$ excitation diagrams, and approximate the excitation with one thermal (~700 K) component representative of an average gas temperature, and one non-thermal component (~2700 K) probing the effect of UV pumping. We compare these results to an existing model for the Orion Bar PDR and highlight the differences with the observations.

astro-ph.GA↗

arXiv2024

Infrared Emission of Specific Polycyclic Aromatic Hydrocarbon Molecules: Cyanonaphthalenes

The unidentified infrared emission (UIE) features at 3.3, 6.2, 7.7, 8.6, 11.3 and 12.7 micron are ubiquitously seen in a wide variety of astrophysical regions and commonly attributed to polycyclic aromatic hydrocarbon (PAH) molecules. However, the unambiguous identification of any individual, specific PAH molecules has proven elusive until very recently two isomers of cyanonapthalene, which consists of two fused benzene rings and substitutes a nitrile (-CN) group for a hydrogen atom, were discovered in the Taurus Molecular Cloud based on their rotational transitions at radio frequencies. To facilitate the James Webb Space Telescope (JWST) to search for cyanonapthalenes in astrophysical regions, we model the vibrational excitation of cyanonapthalenes and calculate their infrared emission spectra in a number of representative astrophysical regions. The model emission spectra and intensities will allow JWST to quantitatively determine or place an upper limit on the abundance of cyanonapthalenes.

astro-ph.GA↗