[ACS Earth Space Chem] The ion-neutral reaction between cyanoacetylene (HC3N) and phenyl anion (C6H5 -) leads to the formation of cyanobenzene (C6H5CN) and the ethynyl anion (C2H-) via a submerged, […]
Polycyclic Aromatic Hydrocarbons
![The PES for the reaction of C6H6 with CP in kcal mol−1 . Values in gray were calculated using CCSD(T)-F12c/cc-pVTZ-F12//ωB97X-2(TQZ)-D3(BJ)/ma-def2-TZVPP, those in orange were found using DFT alone (ωB97X-2(TQZ)-D3(BJ)/ma-def2-TZVPP), and those in navy blue were found using CCSD(T)-F12c/cc-pVTZ-F12//M06-2X-D3(0)/ma-def2-TZVPP. The dashed gray and navy lines corresponds to the identified transition states in the calculations which employed ωB97X-2(TQZ) and M06-2X, respectively. Meanwhile, the dotted black line represents the barrierless CP addition to benzene found from the relaxed scans that used ωB97X, ωB97M, and B2PLYP. -- [astro-ph.GA]](https://i0.wp.com/astrobiology.com/wp-content/uploads/2026/11/A-Potential.png?resize=1200%2C720&ssl=1)
Posted inAstrochemistry
A Potential New Dimension of Astrophysical Aromatic Functionalization: Phosphaethynyl (CP) Derivatives
[astro-ph.GA] Quantum chemical computations outline a thermodynamically viable, low-temperature, gas-phase formation pathway for phosphaethynyl cyclopropenylidene (c-C3HCP), resulting from cyclopropenylidene (c-C3H2) and the phosphaethynyl (CP) radical.
Posted inAstrochemistry
Does Topology-Dependent Chemistry Influence the Interstellar PAH Inventory? Insights from the Absence of Cyanotriphenylenes
[astro-ph.GA]. Although a set of polycyclic aromatic hydrocarbons (PAHs) has recently been identified in the cold dark cloud TMC-1, several common PAH motifs remain absent, leaving the origin of this […]
![Overview of the ML-DH framework. Top: Training stage, using DFT energies, forces, and dipoles to train the NNFF and EPNN. Bottom: Prediction stage, yielding IR spectra via NNFF optimization, normal mode analysis, and EPNN dipole derivatives.-- [astro-ph.GA]](https://i0.wp.com/astrobiology.com/wp-content/uploads/2026/10/A-machine.png?resize=1200%2C719&ssl=1)
Posted inAstrochemistry
A Machine-learning-driven Dataset Of 144,111 Polycyclic Aromatic Hydrocarbon Infrared Spectra For Interpreting Aromatic Infrared Bands
[astro-ph.GA] The interpretation of interstellar aromatic infrared bands (AIBs) relies on reference spectral libraries, but the chemical space covered by existing databases remains incomplete relative to the vast structural diversity […]
Posted inAstrochemistry
Infrared Spectroscopy Of Cyanonaphthalenes Under Interstellar Relevant Conditions And Their Potential Connection With Astronomical Aromatic Infrared Bands
[Astronomy & Astrophysics] Context. Aromatic infrared bands (AIBs) are widely observed in diverse astrophysical environments and are generally attributed to vibrational emission from polycyclic aromatic hydrocarbons (PAHs). The recent interstellar […]
![The per-tile processing chain, applied to the Detector-4 tile of Fig. 1. (a) After flag masking and zodiacal-light subtraction, the input to the stellar subtraction. (b) After fitting and subtracting the empirical PSF at every catalogued source above the magnitude limit, with the saturated cores of the brightest stars masked. (c) After the median filter and the Gaussian smoothing to 2.6 ′ , which is what is coadded into the HEALPix maps. All three panels share a single histogram-equalised colour scale. -- [astro-ph.GA]](https://i0.wp.com/astrobiology.com/wp-content/uploads/2026/10/A-Full-Sky.png?resize=1200%2C637&ssl=1)
Posted inAstrochemistry
A Full-Sky SPHEREx Map of Integrated 3.3 And 3.4 μm PAH Emission
[astro-ph.GA] Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in the interstellar medium and are among its smallest carbonaceous grains.
![Ratio maps involving the PAH7.7 feature and the F1500W synthetic photometry applied to the MRS cubes for ASPECS galaxies. The first row of panels shows the maps of the total PAH7.7 feature to the synthetic F1500W photometry. Ratios above 1 are possible because the wings of the PAH feature extend well beyond the filter (see text for details and Donnan et al. 2026b). The second row of panels is the fraction of PAH7.7 feature within the F1500W filter to the synthetic F1500W photometry. The third row of panels is the same as the second but for the fraction of continuum emission within the F1500W to the synthetic F1500W photometry -- [astro-ph.GA]](https://i0.wp.com/astrobiology.com/wp-content/uploads/2026/09/PAHSPECS.png?resize=1200%2C718&ssl=1)
Posted inAstrochemistry
PAHSPECS: JWST/MIRI Spectroscopy Of PAHs at Cosmic Noon
[astro-ph.GA] The physical conditions of the interstellar medium (ISM) are thought to differ greatly at high redshifts compared to local galaxies. Polycyclic aromatic hydrocarbons (PAHs) are key ISM constituents, mediating […]
Posted inAstrochemistry
Chemists Uncover How Unthinkable Reactions Occur In Unimaginable Conditions
[Florida International University] Before there was Earth, there was chemistry. In the unimaginable cold, dark clouds where stars and planets are born, carbon molecules assemble into more complex forms — […]
Posted inAstrochemistry
Interstellar Aromatic Infrared Bands: IR Absorption Spectroscopy Of The Lowest Triplet State Of Naphthalene
[astro-ph.GA] The aromatic infrared bands (AIBs), emission features observed ubiquitously across a wide variety of interstellar objects, are commonly attributed to radiative cooling of highly-excited ground-state vibrational levels of polycyclic […]
Posted inVenus
Altered Cosmic Organics As Venus’ Ultraviolet Absorbers
[astro-ph.EP] Venus’ ultraviolet (UV) absorbers significantly contribute to the atmosphere’s energy budget. However, the composition of these absorbers remains a mystery.