arXiv subjects

C. Bhatt

Publications and source records attributed to C. Bhatt.

4 recordsLinked to original sources

arXiv2026

The JWST Proto-PAH project. Computational modeling of the emission carriers

The infrared spectra of many carbon-rich post-asymptotic giant branch stars are dominated by emission features from aromatic and aliphatic hydrocarbons, but the chemical structure of the carriers remains unidentified. Class D sources show unusual emission profiles with strong aliphatic emission, providing a stringent test of carrier candidates. Here we investigate whether hydrogenated carbonaceous molecular particles can be the carriers of these features. Rather than assuming candidate geometries we generate the initial structures using ab initio molecular dynamics simulations and optimize them using density functional theory. We then compare the computed emission spectra to JWST NIRSpec and MIRI/MRS observations of Class D sources. The structures providing the best agreements contain sizeable domains with defect-bearing aromatics and hydrogenated-aromatics connected by aliphatic bridges, in contrast to the "arophatic" cluster model of isolated two- to three-ring aromatics connected by aliphatic and olefinic bridges. As a representative example, we discuss in detail the molecular particle C130H96 (radius of 5.5 A) and compare its computed spectrum to the JWST spectra of IRAS 05110-6616, a Class D2 source with apparent shifts of the aromatic C-H out-of-plane bands. The calculated spectra are in qualitative agreement with the observed 3 micron profile, the aliphatic C-H bending bands, the broad 8 micron feature, the 11-14 micron C-H out-of-plane region, and the bands at 16 and 21 microns. We hypothesize that UV photo-driven fragmentation of such molecular particles releases aromatics linked by aliphatics, followed by the formation of polycyclic aromatic hydrocarbons and fullerenes as these objects evolve into planetary nebulae.

astro-ph.GA↗

arXiv2026

The JWST Proto-PAH project: Aromatic backbones with extensive aliphatic substitution account for both the aromatic and aliphatic emission

We find that the aromatic and aliphatic emission bands in four carbon-rich post-asymptotic giant branch stars with class D emission arise from a single carrier population: extensive aliphatic decoration of an aromatic skeleton, i.e. molecules with a coherent aromatic backbone and an unusually high aliphatic content. This conclusion is based on JWST NIRSpec and MIRI/MRS spectroscopy, covering 2.88-28.7um. The aliphatic 3.4um feature is stronger than the aromatic 3.3um feature, reversing the ratio seen in sources with typical polycyclic aromatic hydrocarbon (PAH) emission. If the aromatic emission arose from nominal PAHs, the 3.3um feature - unavailable in previous observations - together with the mid-infrared aromatic features, would constrain them to be large (greater than about carbon atoms), compact, and at least partially ionized. These properties predict a strong 8.6um feature. However, the 8.6um feature is weak or absent in all four sources, ruling out PAHs as the source of the aromatic emission. Instead, the emission must arise from the same carriers as the aliphatic emission. The position of the 6.9um feature and the broadened 11-14um out-of-plane emission independently support this. The CH2 and CH3 feature strengths vary across the sample, with the class D2 sources showing higher CH3 content. These carriers are far more aliphatic than the PAHs of planetary nebulae and the interstellar medium. However, they retain the aromatic skeleton that produces their aromatic features.

astro-ph.GA↗

arXiv2026

The JWST Proto-PAH Project: Detection of the methyl radical CH$_{3}$ in the highly evolved C-rich object SMP LMC 011

We report the first detection of the neutral methyl radical CH$_3$ in a highly evolved C-rich object, SMP LMC 011, using JWST MIRI/MRS. CH$_3$ is well fitted by an excitation temperature of $T_{\rm ex} \simeq$~190\,K and a column density of $N_{\rm tot}(\mathrm{CH_3}) \simeq 5.6\times10^{17}$ cm$^{-2}$. We also report the non-detection of ethane (C$_2$H$_6$), consistent with CH$_3$ reacting preferentially with unsaturated radicals rather than self-recombination, which may be inefficient in SMP LMC 011. Combined with the exceptionally large benzene column density of SMP LMC 011, this supports a methyl-addition route from benzene towards alkyl-substituted aromatics. We propose that the high CH$_3$ abundance is driven by the erosion of hydrogenated amorphous carbon (HAC) dust grains in the dense warm torus by UV photons from the central star and/or by shocks, which release CH$_3$ directly into the gas phase. These results establish CH$_3$ as a key reactive intermediate in the formation of complex hydrocarbons in C-rich circumstellar environments. Chemical models that incorporate methyl-addition reactions are needed for a better understanding of PAH formation pathways in evolved stars. The potential detection of alkyl-substituted aromatics such as toluene (C$_7$H$_8$) and ethylbenzene (C$_8$H$_{10}$) in C-rich evolved stars would provide direct confirmation of CH$_3$-driven aromatic growth in circumstellar environments.

astro-ph.SR↗

arXiv2025

The EDIBLES survey. X. The 6196 Å diffuse interstellar band: Identification of side DIBs as an indication of a small carrier molecule

Context: Numerous studies of diffuse interstellar band (DIB) profiles have detected substructures, which in turn suggests that large molecules are acting as their carriers. However, some of the narrowest DIBs generally do not show such substructures, suggesting the possibility of very small carriers. Aims: Based on the previously found tight correlation of the three narrow DIBs at 6196, 6440 and 6623 A and the present detection of weaker side DIBs to each of them in the extensive data set from the ESO Diffuse Interstellar Bands Large Exploration Survey, we investigated whether they may stem from small linear carrier molecules. This approach can lead to concrete DIB carrier suggestions, which can be tested in laboratory measurements in future studies. Methods: We suggest that the DIBs we studied here represent individual rotational transitions of a small molecule. We determined the molecular constants from observations and compared them with data from a large set of quantum-chemical calculations to constrain possible carrier candidates. Furthermore, we determined the rotational temperatures by fitting line ratios using the fitted molecular models. Results: We determined molecular constants for three DIB systems and the corresponding transition types. The fitted rotational temperatures lie within the range of known interstellar diatomic molecules. We identified several DIB carrier candidates, almost all of them molecular ions. Some of them are metastable species, indicating the possibility of collision complexes as DIB carriers. Conclusions: If our hypothesis holds, this would be a major step towards the identification of a carrier molecule of the 6196 A DIB, the strongest among the narrow DIBs.

astro-ph.GA↗