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 …

Gas-phase synthesis of coronene through stepwise directed ring annulation

SJ Goettl, LB Tuli, AM Turner, Y Reyes… - Journal of the …, 2023 - ACS Publications
Molecular beam experiments together with electronic structure calculations provide the first
evidence of a complex network of elementary gas-phase reactions culminating in the bottom …

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 …

Spiers Memorial Lecture: New directions in molecular scattering

GC Schatz, AM Wodtke, X Yang - Faraday Discussions, 2024 - pubs.rsc.org
The field of Molecular Scattering is reviewed as it pertains to gas-gas as well as gas-surface
chemical reaction dynamics. We emphasize the importance of collaboration of experiment …

On the mechanism of soot nucleation. IV. Molecular growth of the flattened E-bridge

M Frenklach, AM Mebel - The Journal of Physical Chemistry A, 2022 - ACS Publications
Rotationally excited dimerization of aromatic moieties, a mechanism proposed recently to
explain the initial steps of soot particle inception in combustion and pyrolysis of …

Conformer-Specific Photoelectron Spectroscopy of Carbonic Acid: H2CO3

K Kanayama, H Nakamura, K Maruta… - The Journal of …, 2024 - ACS Publications
Carbonic acid (H2CO3) is a fundamental species in biological, ecological, and astronomical
systems. However, its spectroscopic characterization is incomplete because of its reactive …

Gas-phase C 60 H n+ q (n= 0–4, q= 0, 1) fullerenes and fulleranes: spectroscopic simulations shed light on cosmic molecular structures

RR Oliveira, G Molpeceres, R Montserrat… - Physical Chemistry …, 2023 - pubs.rsc.org
The discovery of C60, C60+, and C70 in the interstellar medium has ignited a profound
interest in the astrochemistry of fullerene and related systems. In particular, the presence of …

CCSD(T) Rotational Constants for Highly Challenging C5H2 Isomers—A Comparison between Theory and Experiment

VS Thimmakondu, A Karton - Molecules, 2023 - mdpi.com
We evaluate the accuracy of CCSD (T) and density functional theory (DFT) methods for the
calculation of equilibrium rotational constants (A e, B e, and C e) for four experimentally …

[HTML][HTML] Bowl-shaped PAHs as gas adsorbents: Hydrogen storage and binding of gaseous pollutants

IK Petrushenko - Results in Surfaces and Interfaces, 2024 - Elsevier
Understanding the non-covalent interactions of various molecules with bowl-shaped carbon
structures at a quantum-chemistry level is important for the design of new materials. In this …

Evolution of carbon particles from the stage of asymptotic giant branch stars to planetary nebulae: observations, experiments, and theory

MS Murga - Uspekhi Fizicheskikh Nauk, 2024 - ufn.ru
We review research into the evolution of carbon particles at stages from the envelopes of
asymptotic giant branch stars to planetary nebulae. The evolution of carbon particles is …