Adrian Batista Planas | Search arXiv

arXiv2026

Collisional excitation of E- and Z-ethanimine to model cold molecular clouds

Context. Ethanimine is a prebiotically relevant complex organic molecule that has been proposed as a key precursor of amino acids in the interstellar medium. To date, both its E and Z isomers have only been detected toward the Sgr B2(N) molecular cloud. The pronounced non-local thermodynamic equilibrium (non-LTE) effects predicted for this molecule require accurate collisional rate coefficients for reliable astrophysical modeling and future astronomical searches. Aims. We aim to provide the first collisional datasets for both ethanimine isomers with the main cold molecular clouds collision partners, He and para-H2, in order to support non-LTE radiative-transfer modeling. Methods. State-to-state rate coefficients for collisions with He were computed by integration over mixed close-coupling (CC) and coupled-states (CS) scattering cross sections at different energy ranges. In addition, comparisons with mixed quantum-classical theory (MQCT) calculations performed for both He and para-H2 collisions enabled the derivation of transition-specific scaling factors, which were applied to predict collisional rate coefficients for para-H2. Results. We present the first state-to-state collisional datasets for both E- and Z-ethanimine in collision with He and para-H2, including all rotational transitions involving levels below 50 cm-1 and over the 5-100 K temperature range. Conclusions. The datasets reported here provide the first collisional information suitable for non-LTE modeling of ethanimine in cold interstellar environments. They represent a key step toward more reliable abundance determinations and may facilitate future astronomical detections of both ethanimine isomers beyond Sgr B2(N).

astro-ph.GA↗

arXiv2026

Collisional energy transfer in ethanimine + He system

The ethanimine molecule, CH3CHNH, is one of the prebiotic molecules detected by astronomers in chemically-rich molecular clouds in the Galactic Center. The observations indicate a non-equilibrium distribution of rotational state populations in both the E- and Z-isomers of ethanimine, resulting from the competition between radiative processes and collisions with background gases such as He and H2. Accurate interpretation of these observations requires the use of radiative transfer models with collisional state-to-state transition processes included. Here, in order to compute cross sections for state-to-state transitions in both ethanimine isomers, accurate potential energy surfaces for their interaction with a He atom were constructed and three complementary methods for inelastic scattering were utilized: full-quantum coupled-channel and coupled-states methods, and the mixed quantum/classical theory. Strong propensities of transitions toward $Δj = 0$ and either $Δk_a = 0$ (with $Δk_c = \pm 1$) or $Δk_c = 0$ (with $Δk_a = \pm 1$) are reported and the origin of this effect is identified. Small but non-negligible differences between energy transfer in the two isomers, on the order of 10%, were found. The utility of the mixed quantum/classical approach to collisional energy transfer at higher collision energies is discussed.

physics.chem-ph↗