Gas-phase formation of acetaldehyde: review and new theoretical computations

Abstract

Among all the interstellar complex organic molecules (iCOMs), acetaldehyde is one of the most widely detected species. The question of its formation route(s) is, therefore, of a major interest regarding astrochemical models. In this paper, we provide an extensive review of the gas-phase formation paths that were, or are, reported in the literature and the major astrochemical databases. Four different gas-phase formation routes stand out : (1) CH${}_3$OCH${}_3$ + H${}^{+}$ / CH${}_3$CHOH${}^{+}$ + e${}^{-}$, (2) C${}_2$H${}_5$ + O(${}^3$P), (3) CH${}_3$OH + CH and (4) CH${}_3$CH${}_2$OH + OH / CH${}_3$CHOH + O(${}^3$P). Paths (2) and (3) were not studied neither via laboratory or theoretical works in the low temperature and density regime valid for the ISM. Thus, we carried out new accurate quantum chemistry computations. A theoretical kinetics study at low temperatures (7-300 K), adopting the RRKM scheme, was also performed. We confirm that reaction (2) is efficient in forming acetaldehyde in the 7-300 temperature range (alpha = 1.21 x 10${}^{-10}$ cm${}^3$ s${}^{-1}$ and beta = 0.16). On the contrary, our new computations disprove the formation of acetaldehyde through reaction (3) (alpha = 1.84, 0.67 x 10${}^{-13}$ cm${}^3$ s${}^{-1}$ and beta = -0.07, -0.95). Path (1) was showed to be inefficient too by recent computations, while path (4) was formerly considered for glycolaldehyde formation, having acetaldehyde as a by-product. In conclusions, of the four above paths only two, the (2) and (4), are potentially efficient gas-phase reaction routes for the formation of acetaldehyde and we encourage astrochemical modellers to only consider them. Comparison with astronomical observations suggest that path (4) may actually play the major role.

References in corpus (31)

• Formation of methyl formate and other organic species in the warm-up phase of hot molecular cores
• Photochemistry and astrochemistry: photochemical pathways to interstellar complex organic molecules
• The ALMA Protostellar Interferometric Line Survey (PILS): First results from an unbiased submillimeter wavelength line survey of the Class 0 protostellar binary IRAS 16293-2422 with ALMA
• Formation of complex organic molecules in cold objects: the role of gas phase reactions
• The origin of complex organic molecules in prestellar cores
• The Spatial Distribution of Complex Organic Molecules in the L1544 Pre-stellar Core
• Formation of Complex Molecules in Prestellar Cores: a Multilayer Approach
• Experimental evidence for Glycolaldehyde and Ethylene Glycol formation by surface hydrogenation of CO molecules under dense molecular cloud conditions
• The ALMA-PILS survey: Inventory of complex organic molecules towards IRAS 16293-2422 A
• Seeds Of Life In Space (SOLIS): The organic composition diversity at 300--1000 au scale in Solar-type star forming regions
• Seeds of Life in Space (SOLIS) III. Formamide in protostellar shocks: evidence for gas-phase formation
• Molecules with a peptide link in protostellar shocks: a comprehensive study of L1157
• Complex organic molecules in low-mass protostars on solar system scales -- I. Oxygen-bearing species
• Complex organics in IRAS 4A revisited with ALMA and PdBI: Striking contrast between two neighbouring protostellar cores
• The census of complex organic molecules in the solar type protostar IRAS16293-2422
• Discovery of a Hot Corino in the Bok Globule B335
• Prevalence of Complex Organic Molecules in Starless and Prestellar Cores within the Taurus Molecular Cloud
• Reactivity of HCO with CH3 and NH2 on Water Ice Surfaces. A Comprehensive Accurate Quantum Chemistry Study
• First Abundance Measurement of Organic Molecules in the Atmosphere of HH 212 Protostellar Disk
• Chemical desorption versus energy dissipation: insights from ab-initio molecular dynamics of HCO formation
• Chemical complexity induced by efficient ice evaporation in the Barnard 5 molecular cloud
• Formation of NH2CHO and CH3CHO upon UV photoprocessing of interstellar ice analogs
• Glycolaldehyde in Perseus young solar analogs
• Seeds of Life in Space (SOLIS) V. Methanol and acetaldehyde in the protostellar jet-driven shocks L1157-B0 and B1
• Seeds of Life in Space (SOLIS). X. Interstellar Complex Organic Molecules in the NGC 1333 IRAS 4A outflows
• The hot core towards the intermediate mass protostar NGC7129 FIRS 2: Chemical similarities with Orion KL
• Revisiting the reactivity between HCO and CH${}_3$ on interstellar grain surfaces
• Mapping Observations of complex organic molecules around Sagittarius B2 with ARO 12m telescope
• ALMA Observations of the Spatial Distribution of three C${}_2$H${}_4$O${}_2$ Isomers towards Sgr B2(N)
• The HH 212 interstellar laboratory: astrochemistry as a tool to reveal protostellar disks on Solar System scales around a rising Sun
• SPARKS II.: Complex organic molecules in accretion shocks around a hot core precursor

Cited by in corpus (23)

• The Perseus ALMA Chemistry Survey (PEACHES). I. The Complex Organic Molecules in Perseus Embedded Protostars
• CORINOS I: JWST/MIRI Spectroscopy and Imaging of a Class 0 protostar IRAS 15398-3359
• Complex organic molecules in low-mass protostars on solar system scales -- I. Oxygen-bearing species
• O-bearing complex organic molecules at the cyanopolyyne peak of TMC-1: detection of C2H3CHO, C2H3OH, HCOOCH3, and CH3OCH3
• Quantum mechanical simulations of the radical-radical chemistry on icy surfaces
• Complex organic molecules in low-mass protostars on Solar System scales -- II. Nitrogen-bearing species
• CoCCoA: Complex Chemistry in hot Cores with ALMA. Selected oxygen-bearing species
• Hunt for complex cyanides in protostellar ices with JWST: Tentative detection of CH${}_3$CN and C${}_2$H${}_5$CN
• Detection of Complex Organic Molecules in Young Starless Core L1521E
• Acetaldehyde binding energies: a coupled experimental and theoretical study
• Chemical survey of Class I protostars with the IRAM-30m
• The GRETOBAPE gas-phase reaction network: the importance of being exothermic
• Complex organic molecules detected in twelve high-mass star-forming regions with Atacama Large Millimeter/submillimeter Array (ALMA)
• A deep search for large complex organic species toward IRAS16293-2422 B at 3 mm with ALMA
• Millimetre and sub-millimetre spectroscopy of doubly deuterated acetaldehyde (CHD2CHO) and first detection towards IRAS 16293-2422
• Chemical exploration of Galactic cold cores
• Nascent chemical complexity in prestellar core IRAS 16293E: complex organics and deuterated methanol
• Hydrogenation of acetaldehyde on interstellar ice analogs reveals limited destruction
• Complex Organic Molecules towards the central molecular zone of NGC 253
• Spatial distribution of organics in the Horsehead nebula: Signposts of chemistry driven by atomic carbon
• Carbon chain diversity in L1544 and IRAS 16293-2422: an astrochemical pathfinder study for the SKAO
• Chemistry of Dark Molecular Clouds
• Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains