Potential Catalytic Role of Small Heterocycles in Interstellar H 2 Formation: A Laboratory Astrochemistry Study on Furan and Its Hydrogenated Forms.

Autor: Schneiker A; George Hevesy Doctoral School, ELTE Eötvös Loránd University, H-1518 Budapest, Hungary.; MTA-ELTE Lendület Laboratory Astrochemistry Research Group, Institute of Chemistry, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary., Ragupathy G; MTA-ELTE Lendület Laboratory Astrochemistry Research Group, Institute of Chemistry, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary., Bazsó G; Wigner Research Centre for Physics, P.O. Box 49, H-1525 Budapest, Hungary., Tarczay G; MTA-ELTE Lendület Laboratory Astrochemistry Research Group, Institute of Chemistry, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary.; Laboratory of Molecular Spectroscopy, Institute of Chemistry, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary.; Centre for Astrophysics and Space Science, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary.
Jazyk: angličtina
Zdroj: The journal of physical chemistry. A [J Phys Chem A] 2022 May 12; Vol. 126 (18), pp. 2832-2844. Date of Electronic Publication: 2022 Apr 25.
DOI: 10.1021/acs.jpca.2c00306
Abstrakt: It is now well-accepted in astrochemistry that the formation of interstellar H 2 is taking place on the surface of interstellar grains. It has also been suggested a long time ago that polyaromatic hydrocarbons (PAHs) can catalyze this process by subsequent H atom addition and H abstraction reactions. Recent quantum chemical computations suggested that small heterocycles can be better catalysts than PAHs. In this study, the reaction of H atoms with furan, 2,3- and 2,5-dihydrofurans, and tetrahydrofuran were studied in solid para -H 2 at 3.1 K. The reactions were followed by Fourier transform infrared (FTIR) spectroscopy. By the analysis of spectra, 2-hydrofuran-3-yl, 3-hydrofuran-2-yl, 2,3,4-trihydrofuran-5-yl, and 2,3,5-trihydrofuran-4-yl radicals were identified among the products. The experiments revealed that all the possible H atom addition and H abstraction cycles connecting furan and tetrahydrofuran proceed effectively in both directions at a low temperature. This indicates the possible important role of small heterocycles in interstellar H 2 formation. Furthermore, it also indicates that, in the case of H atom excess, a quasi-equilibrium exists between the c -C 4 H x O ( x = 4-8) species, and the ratios of these species in an astrophysical object are determined by the rate of the different H atom addition and H abstraction reaction steps.
Databáze: MEDLINE