49 citations · 391 across the 26 of their papers we have counts for
29 papers
A neural-network model to find correlations in astrochemical space
Daniel Giovanni Vargas, Darío Barreiro-Lage, Carlos Cabezas +2
The detection of new interstellar molecules is central to astrochemistry, and arguably the most transformative development in the field in past decade has been the increase in both…
Thermally irreversible sulfur chemisorption on silicate grains as a major sulfur reservoir in molecular clouds
Ni-En Sie, Masashi Tsuge, Yasuhiro Oba +3
Sulfur (S) chemistry in the interstellar medium remains poorly constrained due to the longstanding "missing sulfur" problem, where a significant fraction of cosmic sulfur in molecu…
Formation of adducts of CH with Na, Mg and Al metal cations by radiative association
Niyazi Bulut, Octavio Roncero, Maria Mallo +6
The Mg-bearing cations MgCH, MgCH, MgCN, and MgCN have been recently observed in the carbon-rich envelope IRC\,+10216. These species are thought to…
Can cyanide radicals drive molecular backbone growth on interstellar icy grains?
Germán Molpeceres, Joan Enrique-Romero
Motivated by the value of CN-bearing molecules as tracers of interstellar physical conditions, we investigate the reactions of adsorbed CN radicals with acetylene and ethylene (C2H…
Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion
Juan Carlos del Valle, Miguel Sanz-Novo, Johannes Kästner +4
We investigate the formation of the recently detected HNSO molecule using quantum chemical calculations on ices and astrochemical models in tandem. Our results indicate that HNSO i…
A gas-phase "top-down" chemical link between aldehydes and alcohols
Christopher N. Shingledecker, Germán Molpeceres, A. Mackenzie Flowers +3
Alcohols and aldehydes represent two key classes of interstellar complex organic molecules (COMs). This work seeks to better understand their possible chemical connections, with a…
The Emergence of Prebiotic Chemistry in the ISM
Izaskun Jimenez-Serra, Giuliana Cosentino, Francisco Montenegro-Montes +22
Contrary to popular belief, the interstellar medium (ISM) is not empty; it is filled with atoms, dust particles, and molecules. Some of these molecules may have been the very build…
Formation of unsaturated carbon chains through carbon chemisorption on solid CO
Masashi Tsuge, Germán Molpeceres, Ryota Ichimura +3
The interaction of carbon atoms with solid carbon monoxide (CO) is a fundamental process in astrochemistry, influencing the formation of complex organic molecules in interstellar e…
CO Adsorption Sites on Interstellar Water Ices Explored with Machine Learning Potentials. Binding energy distributions and snowline
Giulia M. Bovolenta, Germán Molpeceres, Kenji Furuya +2
Context. Carbon monoxide (CO) is arguably the most important molecule for interstellar organic chemistry. Its binding to amorphous solid water (ASW) ice regulates both diffusion an…
Diffusive vs. non-diffusive paths to interstellar hydrogen peroxide. A machine learning-based molecular dynamics study
Jan Poštulka, Petr Slavíček, Johannes Kästner +1
Context. Radical chemical reactions on cosmic dust grains play a crucial role in forming various chemical species. Among different radicals, the hydroxyl (OH) is one of the most im…
Hydrogenation of HOCO and formation of interstellar CO: A not so straightforward relation
Germán Molpeceres, Joan Enrique-Romero, Atsuki Ishibashi +5
Carbon dioxide (CO) is one of the most important interstellar molecules. While it is considered that it forms on the surface of interstellar dust grains, the exact contribution…
Hydrogenation of acetaldehyde on interstellar ice analogs reveals limited destruction
Germán Molpeceres, Thanh Nguyen, Yasuhiro Oba +1
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, l…
Proposed importance of HOCO chemistry: Inefficient formation of CO from CO and OH reactions on ice dust
Atsuki Ishibashi, Germán Molpeceres, Hiroshi Hidaka +3
With the advent of JWST ice observations, dedicated studies on the formation reactions of detected molecules are becoming increasingly important. One of the most interesting molecu…
Formation of the interstellar sugar precursor, (Z)-1,2-ethenediol, through radical reactions on dust grains
Juan Carlos del Valle, Pilar Redondo, Johannes Kästner +1
In recent years, the continued detection of complex organic molecules of prebiotic interest has refueled the interest on a panspermic origin of life. The prebiotic molecule glycera…
In-Depth Exploration of Catalytic Sites on Amorphous Solid Water: I. The Astrosynthesis of Aminomethanol
Giulia M. Bovolenta, Gabriela Silva-Vera, Stefano Bovino +3
Chemical processes taking place on ice-grain mantles are pivotal to the complex chemistry of interstellar environments. In this study, we conducted a comprehensive analysis of the…
Methane Formation Efficiency on Icy Grains: Role of Adsorption States
Masashi Tsuge, Germán Molpeceres, Yuri Aikawa +1
Methane (CH4) is one of the major components of the icy mantle of cosmic dust prevalent in cold, dense regions of interstellar media, playing an important role in the synthesis of…
Enhanced formation of interstellar complex organic molecules on carbon monoxide ice
Germán Molpeceres, Kenji Furuya, Yuri Aikawa
We investigate the role of carbon monoxide ice in the chemical evolution of prestellar cores using astrochemical rate equation models. We constrain the ratios of the binding energi…
First detection in space of the high-energy isomer of cyanomethanimine: H2CNCN
David San Andrés, Víctor M. Rivilla, Laura Colzi +14
We report the first detection in the interstellar medium of -cyanomethanimine (HCNCN), the stable dimer of HCN of highest energy, and the most complex organic molecule ident…
Surface Diffusion of Carbon Atoms as a Driver of Interstellar Organic Chemistry
Masashi Tsuge, Germán Molpeceres, Yuri Aikawa +1
Many interstellar complex organic molecules (COMs) are believed to be produced on the surfaces of icy grains at low temperatures. Atomic carbon is considered responsible for the sk…
Processing of hydroxylamine, NH2OH, an important prebiotic precursor, on interstellar ices
Gerán Molpeceres, Víctor. M. Rivilla, Kenji Furuya +3
Hydroxylamine, NH2OH, is one of the already detected interstellar molecules with the highest prebiotic potential. Yet, the abundance of this molecule found by astronomical observat…
Reaction dynamics on amorphous solid water surfaces using interatomic machine learned potentials. Microscopic energy partition revealed from the P + H -> PH reaction
Germán Molpeceres, Viktor Zaverkin, Kenji Furuya +2
Energy redistribution after a chemical reaction is one of the few mechanisms to explain the diffusion and desorption of molecules which require more energy than the thermal energy…
Hydrogen abstraction reactions in formic and thioformic acid isomers by hydrogen and deuterium atoms. Insights on isomerism and deuteration
Germán Molpeceres, Izaskun Jiménez-Serra, Yasuhiro Oba +6
The isomerism of molecules in the interstellar medium and the mechanisms behind it are essential questions in the chemistry of organic molecules in space. In particular, for the si…
Neural-Network Assisted Study of Nitrogen Atom Dynamics on Amorphous Solid Water -- II. Diffusion
Viktor Zaverkin, Germán Molpeceres, Johannes Kästner
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative…
Carbon Atom Reactivity with Amorphous Solid Water: HO Catalyzed Formation of HCO
Germán Molpeceres, Johannes Kästner, Gleb Fedoseev +4
We report new computational and experimental evidence of an efficient and astrochemically relevant formation route to formaldehyde (HCO). This simplest carbonylic compound is c…