Noncovalent interactions steer the formation of polycyclic aromatic hydrocarbons

DB Rap, JGM Schrauwen, B Redlich… - Journal of the …, 2024 - ACS Publications
Aromatic molecules play an important role in the chemistry of astronomical environments
such as the cold interstellar medium (ISM) and (exo) planetary atmospheres. The observed …

Wetting of a hydrophobic surface: Far-IR action spectroscopy and dynamics of microhydrated naphthalene

AK Lemmens, P Ferrari, D Loru, G Batra… - The journal of …, 2023 - ACS Publications
The interaction of water and polycyclic aromatic hydrocarbons is of fundamental importance
in areas as diverse as materials science and atmospheric and interstellar chemistry. The …

Formation of the acenaphthylene cation as a common C 2 H 2-loss fragment in dissociative ionization of the PAH isomers anthracene and phenanthrene

S Banhatti, DB Rap, A Simon, H Leboucher… - Physical Chemistry …, 2022 - pubs.rsc.org
Polycyclic aromatic hydrocarbons (PAHs) are thought to be a major constituent of
astrophysical environments, being the carriers of the ubiquitous aromatic infrared bands …

Ionic fragmentation products of benzonitrile as important intermediates in the growth of polycyclic aromatic hydrocarbons

DB Rap, JGM Schrauwen, B Redlich… - Physical Chemistry …, 2024 - pubs.rsc.org
In various astronomical environments such as the interstellar medium or (exo) planetary
atmospheres, an interplay of bottom-up growth and top-down destruction processes of …

Toward the identification of cyano-astroCOMs via vibrational features: benzonitrile as a test case

Y Xu, M Biczysko - Frontiers in Chemistry, 2024 - frontiersin.org
The James Webb Space Telescope (JWST) opened a new era for the identification of
molecular systems in the interstellar medium (ISM) by vibrational features. One group of …

Role of Acetylene in the Chemical Evolution of Carbon Complexity

EO Pentsak, MS Murga… - ACS Earth and Space …, 2024 - ACS Publications
Acetylene, among the multitude of organic molecules discovered in space, plays a distinct
role in the genesis of organic matter. Characterized by its unique balance of stability and …

Fingerprinting fragments of fragile interstellar molecules: dissociation chemistry of pyridine and benzonitrile revealed by infrared spectroscopy and theory

DB Rap, A Simon, K Steenbakkers… - Faraday …, 2023 - pubs.rsc.org
The cationic fragmentation products in the dissociative ionization of pyridine and
benzonitrile have been studied by infrared action spectroscopy in a cryogenic ion trap …

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1–1000 eV

A García-Abenza, AI Lozano, L Álvarez… - Physical Chemistry …, 2023 - pubs.rsc.org
In this study, a complete and self-consistent cross section dataset for electron transport
simulations through gaseous benzene in the energy range 0.1–1000 eV has been critically …

Low Energy Isomers and Infrared Spectra Simulations of C4H3N, C4H4N, and C4H5N and Related Ions

AL Perlin, W Wolff, RR Oliveira - The Journal of Physical Chemistry …, 2023 - ACS Publications
The relative stability of pyrrole derivatives were investigated by applying a global minimum
(GM) search for the low-lying energy structures of C4H n N (n= 3–5) clusters at neutral …

Formation of Polycyclic Aromatic Hydrocarbons (PAHs) in Thermal Systems: A Comprehensive Mechanistic Review

M Altarawneh, L Ali - Energy & Fuels, 2024 - ACS Publications
Polycyclic aromatic hydrocarbons (PAHs) are formed invariably through oxidative and
pyrolytic degradation of organic materials and fuels. Understanding the highly complex …