4 papers
Laboratory spectroscopy, theoretical characterization, and astronomical search for syn-propenethial (CH2CHCHS)
Germán Molpeceres, Carlos Cabezas, Marcelino Agúndez +5
We report the laboratory characterization of the higher-energy isomer of propenethial, syn-CH2CHCHS. While the lower-energy isomer, anti-CH2CHCHS, was detected in the interstellar…
Ion-molecule routes towards cycles in TMC-1. An automated study of the C2H4 + CH2CCH+ reaction
MarÃa Mallo, Marcelino Agúndez, Carlos Cabezas +3
Cyclopentadiene (c-C5H6) is considered a key molecule in the formation of polycyclic aromatic hydrocarbons (PAHs) in the interstellar medium (ISM). The synthesis of PAHs from simpl…
Piecing together formic acid isomerism in dark clouds. Detection of cis-formic acid in TMC-1 and astrochemical modeling
G. Molpeceres, M. Agúndez, M. Mallo +6
The presence of molecular isomers in interstellar environments has become a topic of growing interest within the astrochemical community. Contrary to predictions based on thermodyn…
Delayed photoisomerisation of the trans-PSB3 retinal toy model using on-the-fly quantum dynamics
MarÃa Mallo, Susana Gómez-Carrasco, Sandra Gómez
We explore the trans-cis photoisomerisation process in a representative retinal protonated Schiff base known as trans-PSB3, employing the quantum dynamics method direct dynamics va…