Acetaldehyde binding energies: a coupled experimental and theoretical study

Abstract

Acetaldehyde is one of the most common and abundant gaseous interstellar complex organic molecules, found in cold and hot regions of the molecular interstellar medium. Its presence in the gas-phase depends on the chemical formation and destruction routes, and its binding energy (BE) governs whether acetaldehyde remains frozen onto the interstellar dust grains or not. In this work, we report a combined study of the acetaldehyde BE obtained via laboratory TPD (Temperature Programmed Desorption) experiments and theoretical quantum chemical computations. BEs have been measured and computed as a pure acetaldehyde ice and as mixed with both polycrystalline and amorphous water ice. Both calculations and experiments found a BE distribution on amorphous solid water that covers the 4000--6000 K range, when a pre-exponential factor of $1.1\times 10^{18}{s}^{-1}$ is used for the interpretation of the experiments. We discuss in detail the importance of using a consistent couple of BE and pre-exponential factor values when comparing experiments and computations, as well as when introducing them in astrochemical models. Based on the comparison of the acetaldehyde BEs measured and computed in the present work with those of other species, we predict that acetaldehyde is less volatile than formaldehyde, but much more than water, methanol, ethanol, and formamide. We discuss the astrochemical implications of our findings and how recent astronomical high spatial resolution observations show a chemical differentiation involving acetaldehyde, which can easily explained as due to the different BEs of the observed molecules.

arXiv comment12 pages, 6 figures

References in corpus (39)

• Observations of the Icy Universe
• The UMIST database for astrochemistry 2012
• Formation of methyl formate and other organic species in the warm-up phase of hot molecular cores
• A KInetic Database for Astrochemistry (KIDA)
• The origin of complex organic molecules in prestellar cores
• Binding energies: new values and impact on the efficiency of chemical desorption
• Formation of Complex Molecules in Prestellar Cores: a Multilayer Approach
• Dust as interstellar catalyst I. Quantifying the chemical desorption process
• The ALMA-PILS survey: Inventory of complex organic molecules towards IRAS 16293-2422 A
• Ingredients for Solar-like Systems: protostar IRAS 16293-2422 B versus comet 67P/Churyumov-Gerasimenko
• The genealogical tree of ethanol: gas-phase formation of glycolaldehyde, acetic acid and formic acid
• Can Formamide Be Formed on Interstellar Ice? An Atomistic Perspective
• Thermal desorption characteristics of CO, O2 and CO2 on non-porous water, crystalline water and silicate surfaces at sub-monolayer and multilayer coverages
• L1157-B1, a factory of complex organic molecules in a Solar-type star forming region
• Binding energies of interstellar molecules on crystalline and amorphous models of water ice by ab-initio calculations
• The Perseus ALMA Chemistry Survey (PEACHES). I. The Complex Organic Molecules in Perseus Embedded Protostars
• The census of interstellar complex organic molecules in the Class I hot corino of SVS13-A
• The census of complex organic molecules in the solar type protostar IRAS16293-2422
• The effect of H2O on ice photochemistry
• 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
• The (impossible?) formation of acetaldehyde on the grain surfaces: insights from quantum chemical calculations
• Adsorption energies of carbon, nitrogen, and oxygen atoms on the low-temperature amorphous water ice: A systematic estimation from quantum chemistry calculations
• First Abundance Measurement of Organic Molecules in the Atmosphere of HH 212 Protostellar Disk
• Gas-phase formation of acetaldehyde: review and new theoretical computations
• Formation of NH2CHO and CH3CHO upon UV photoprocessing of interstellar ice analogs
• Thermal desorption of formamide and methylamine from graphite and amorphous water ice surfaces
• Deuteration of ammonia with D atoms on oxidized partly ASW covered graphite surface
• Seeds of Life in Space (SOLIS) V. Methanol and acetaldehyde in the protostellar jet-driven shocks L1157-B0 and B1
• Hydrogenation of accreting C-atoms and CO molecules -- simulating ketene and acetaldehyde formation under dark and translucent cloud conditions
• Seeds of Life in Space (SOLIS). X. Interstellar Complex Organic Molecules in the NGC 1333 IRAS 4A outflows
• Molecular composition of comet 46P/Wirtanen from millimetre-wave spectroscopy
• Formation of complex organic molecules in molecular clouds: acetaldehyde, vinyl alcohol, ketene, and ethanol via the "energetic" processing of C${}_2$H${}_2$ ice
• Formation of Acetaldehyde on CO-rich Ices
• Revisiting the reactivity between HCO and CH${}_3$ on interstellar grain surfaces
• Organic chemistry in the protosolar analogue HOPS-108: Environment matters
• Water and interstellar complex organics associated with the HH 212 protostellar disc - On disc atmospheres, disc winds, and accretion shocks
• Molecular Distributions of the Disk/Envelope System of L483: Principal Component Analysis for the Image Cube Data
• Thermal desorption of astrophysical relevant ice mixtures of acetaldehyde and acetonitrile from olivine dust

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• Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?
• Complex organic molecules uncover deeply embedded precursors of hot cores
• FAUST XV. A disk wind mapped by CH${}_3$OH and SiO in the inner 300 au of the NGC 1333 IRAS 4A2 protostar
• Astrochemical effect of the fundamental grain surface processes I. The diffusion of grain surface species and the pre-exponential factor
• Hydrogenation of acetaldehyde on interstellar ice analogs reveals limited destruction
• Complex Organic Molecules towards the central molecular zone of NGC 253