Related papers: Roaming in acetaldehyde
Recent studies have found an unusual way of dissociation in formaldehyde. It can be characterized by a hydrogen atom that separates from the molecule, but instead of dissociating immediately it roams around the molecule for a considerable…
The decomposition and chemical dynamics for vibrationally excited syn-CH$_3$CHOO is followed based on statistically significant numbers of molecular dynamics simulations. Using a neural network-based reactive potential energy surface,…
We sought to determine which are the main hydrogenation paths of acetaldehyde (CH3CHO). As a partially unsaturated molecule, CH3CHO can have links with more hydrogenated species, like ethanol (C2H5OH) or with more unsaturated ones, like…
The formation of complex organic molecules (COMs) in protostellar environments is a hotly debated topic. In particular, the relative importance of the gas phase processes as compared to a direct formation of COMs on the dust grain surfaces…
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,…
Aim: In the past, observations of protostellar shocks have been able to set constraints on the formation route of formamide (NH2CHO), exploiting its observed spatial distribution and comparison with astrochemical model predictions. In this…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
We present Giant Meterwave Radio Telescope images of the 1065 MHz emission from the 1_11 -> 1_10 rotational transition of acetaldehyde (CH3CHO) in the molecular cloud complex Sgr B2. Our observations are unique in that they have a high…
Roaming has been proposed as a possible mechanism contributing to molecular dissociation in which the fragments can move around one another at relatively large intermolecular distances before separating entirely. While roaming, there is…
Despite the organic molecule inventory detected in Orion KL, acetaldehyde (CH3CHO) -- one of the most ubiquitous interstellar aldehydes -- has not been firmly identified with mm-wave interferometry. We analyze extensive ALMA archival…
Chesnavich's model Hamiltonian for the reaction CH$_4^+ \rightarrow$ CH$_3^+$ is known to exhibit a range of interesting dynamical phenomena including roaming. The model system consists of two parts: a rigid, symmetric top representing the…
The abundances of deuterated molecules with respect to their main isotopologue counterparts have been determined to be orders of magnitude higher than expected from the cosmic abundance of deuterium relative to hydrogen. The increasing…
N-methylformamide, CH3NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond. The rotational spectrum of the most stable trans conformer of CH3NHCHO is complicated by strong…
Acetaldehyde (CH$_3$CHO) is one of the most detected interstellar Complex Organic Molecule (iCOM) in the interstellar medium (ISM). These species have a potential biological relevance, as they can be precursors of more complex species from…
Two main formation routes have been proposed for interstellar complex organic molecules (iCOMs): on dust grain surfaces and in the gas phase. Observing such molecules in protostellar outflow shock regions - provided that their ages are…
A model Hamiltonian for the reaction CH$_4^+ \rightarrow$ CH$_3^+$ + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamical characteristics of the roaming mechanism. Tight/loose…
A previous analysis of methanol and formaldehyde towards the Orion Bar concluded that the two molecular species may trace different physical components, methanol the clumpy material, and formaldehyde the interclump medium. To verify this…
From mapping observations of H2CO, HDCO, and D2CO, we have determined how the degree of deuterium fractionation changes over the central 3'x3' region of rho Oph A. The multi-transition data of the various H2CO isotopologues, as well as from…
Branching ratios for fragmentation channels of important meta- and unstable species are essential for a molecular-level characterization of atmospheric chemistry. Here, the molecular product channels for the decomposition dynamics of the…
Glycolaldehyde (HOCH2CHO) is the most straightforward sugar detected in the Interstellar Medium (ISM) and participates in the formation pathways of molecules fundamental to life, red such as ribose and derivatives. Although detected in…