Photodissociation and photoionization of molecules of astronomical interest-Updates to the Leiden photodissociation and photoionization cross section database

HR Hrodmarsson, EF Van Dishoeck - Astronomy & Astrophysics, 2023 - aanda.org
Context. Vacuum-ultraviolet (VUV) photons are important drivers of chemical processes in
space. Thus, it is important to accurately characterize and constrain photorates in different …

Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere

MF Shaw, B Sztáray, LK Whalley, DE Heard… - Nature …, 2018 - nature.com
Organic acids play a key role in the troposphere, contributing to atmospheric aqueous-
phase chemistry, aerosol formation, and precipitation acidity. Atmospheric models currently …

A highly accurate full-dimensional ab initio potential surface for the rearrangement of methylhydroxycarbene (H 3 C–C–OH)

HD Wang, YL Fu, B Fu, W Fang… - Physical Chemistry …, 2023 - pubs.rsc.org
We report here a full-dimensional machine learning global potential surface (PES) for the
rearrangement of methylhydroxycarbene (H3C–C–OH, 1t). The PES is trained with the …

Evaluation of CESM1 (WACCM) free-running and specified dynamics atmospheric composition simulations using global multispecies satellite data records

L Froidevaux, DE Kinnison, R Wang… - Atmospheric …, 2019 - acp.copernicus.org
We have analyzed near-global stratospheric data (and mesospheric data as well for H 2 O)
in terms of absolute abundances, variability, and trends for O 3, H 2 O, HCl, N 2 O, and HNO …

Radiation-induced transformations of acetaldehyde molecules at cryogenic temperatures: a matrix isolation study

PV Zasimov, EV Sanochkina… - Physical Chemistry …, 2022 - pubs.rsc.org
Acetaldehyde is one of the key small organic molecules involved in astrochemical and
atmospheric processes occurring under the action of ionizing and UV radiation. While the …

Acetylacetone Photolysis at 280 nm Studied by Velocity-Map Ion Imaging

JE Rinaman, C Murray - The Journal of Physical Chemistry A, 2023 - ACS Publications
The photolysis of acetylacetone (AcAc) has been studied using velocity-map ion imaging
with pulsed nanosecond lasers. The enolone tautomer of AcAc (CH3C (O) CH═ C (OH) …

Direct observation of a roaming intermediate and its dynamics

GL Abma, MA Parkes, WO Razmus… - Journal of the …, 2024 - ACS Publications
Chemical reactions are often characterized by their transition state, which defines the critical
geometry the molecule must pass through to move from reactants to products. Roaming …

Photodissociation dynamics of CF3CHO: C–C bond cleavage

JS Campbell, K Nauta, SH Kable… - The Journal of Chemical …, 2021 - pubs.aip.org
The photodissociation dynamics of jet-cooled trifluoroacetaldehyde (CF 3 CHO) into radical
products, CF 3+ HCO, was explored using velocity mapped ion imaging over the wavelength …

Real-time tracking of the entangled pathways in the multichannel photodissociation of acetaldehyde

CH Yang, S Bhattacharyya, L Liu, W Fang, K Liu - Chemical Science, 2020 - pubs.rsc.org
The roaming mechanism, an unconventional reaction path, was discovered more than a
decade ago in the studies of formaldehyde photodissociation, H2CO→ H2+ CO. Since then …

Dynamics and quantum yields of H 2+ CH 2 CO as a primary photolysis channel in CH 3 CHO

AW Harrison, A Kharazmi, MF Shaw… - Physical Chemistry …, 2019 - pubs.rsc.org
The first experimental observation of the primary photochemical channel of acetaldehyde
leading to the formation of ketene (CH2CO) and hydrogen (H2) molecular products is …