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 …

Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy …

S Käser, OT Unke, M Meuwly - The Journal of chemical physics, 2020 - pubs.aip.org
Acetaldehyde (AA) isomerization [to vinylalcohol (VA)] and decomposition (into either CO+
CH 4 or H 2+ C 2 H 2 O) are studied using a fully dimensional, reactive potential energy …

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 …

The Effect of β-Hydrogens on the Tropospheric Photochemistry of Aldehydes: Norrish Type 1, Triple Fragmentation, and Methylketene Formation from Propanal

A Kharazmi, AW Harrison, MF Shaw… - Journal of the …, 2024 - ACS Publications
Wavelength and pressure dependent quantum yields (ϕ, QYs) of propanal photolysis have
been measured for photolysis wavelengths, λ= 300–330 nm, and buffer gases of 3–10 Torr …

Structural effects on the Norrish Type I α-bond cleavage of tropospherically important carbonyls

KN Rowell, SH Kable, MJT Jordan - The Journal of Physical …, 2019 - ACS Publications
Norrish Type I (NTI) α-bond cleavage is the dominant photolysis mechanism in small
carbonyls and is an important source of radicals in the troposphere. In nonsymmetric …

An assessment of the tropospherically accessible photo-initiated ground state chemistry of organic carbonyls

KN Rowell, SH Kable, MJT Jordan - Atmospheric Chemistry and …, 2022 - acp.copernicus.org
Carbonyls are among the most abundant volatile organic compounds in the atmosphere.
They are central to atmospheric photochemistry as absorption of near-UV radiation by the …

On the Formation of the Popcorn Flavorant 2,3‐Butanedione (CH3COCOCH3) in Acetaldehyde‐Containing Interstellar Ices

NF Kleimeier, AM Turner, RC Fortenberry… - …, 2020 - Wiley Online Library
Acetaldehyde (CH3CHO) is ubiquitous throughout the interstellar medium and has been
observed in cold molecular clouds, star forming regions, and in meteorites such as …

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 …

Theoretical investigation of the atmospheric photochemistry of glyoxylic acid in the gas phase

AW Harrison, MF Shaw… - The Journal of Physical …, 2019 - ACS Publications
The photochemistry of glyoxylic acid (HC (O) C (O) OH) is explored in the near UV in both
the singlet (S 1/S 0) and triplet (T 1) manifolds using density functional theory (M06-2X/aug …

[HTML][HTML] A high-level ab initio study of the photodissociation of acetaldehyde

A Jaddi, K Marakchi, A Zanchet… - The Journal of Chemical …, 2024 - pubs.aip.org
Acetaldehyde is a very relevant atmospheric species whose photodissociation has been
extensively studied in the first absorption band both experimentally and theoretically. Very …