Photodissociation of Pyrene Cations: Structure and Energetics from C16H10+ to C14+ and Almost Everything in Between
The unimolecular dissociation of the pyrene radical cation, C16H10+•, has been explored
using a combination of computational techniques and experimental approaches, such as …
using a combination of computational techniques and experimental approaches, such as …
Dissociation of polycyclic aromatic hydrocarbons: molecular dynamics studies
A Simon, M Rapacioli, G Rouaut… - … of the Royal …, 2017 - royalsocietypublishing.org
We present dynamical studies of the dissociation of polycyclic aromatic hydrocarbon (PAH)
radical cations in their ground electronic states with significant internal energy. Molecular …
radical cations in their ground electronic states with significant internal energy. Molecular …
High precision electronic spectroscopy of ligand-protected gold nanoclusters: effects of composition, environment, and ligand chemistry
Atomically precise gold nanoclusters (AuNCs) are a class of nanomaterials valued for their
electronic properties and diverse structural features. While the advent of X-ray …
electronic properties and diverse structural features. While the advent of X-ray …
Why Do Large Ionized Polycyclic Aromatic Hydrocarbons Not Lose C2H2?
BJ West, L Lesniak, PM Mayer - The Journal of Physical Chemistry …, 2019 - ACS Publications
The reaction mechanisms for the loss of C2H2 from the ions of anthracene, phenanthrene,
tetracene, and pyrene were calculated at the B3-LYP/6-311++ G (2d, p) level of theory and …
tetracene, and pyrene were calculated at the B3-LYP/6-311++ G (2d, p) level of theory and …
Infrared Spectrum of the Pyrene Anion in the CH Stretching Region
H Salzmann, AB McCoy, JM Weber - The Journal of Physical …, 2024 - ACS Publications
In this work, we report the infrared spectrum of the pyrene anion, measured using
messenger tagging with up to three Ar atoms. We assign the spectrum using density …
messenger tagging with up to three Ar atoms. We assign the spectrum using density …
PAHs and the Chemistry of the ISM
VM Bierbaum, V Le Page, TP Snow - EAS Publications Series, 2011 - eas-journal.org
This review describes five categories of the reactions of polycyclic aromatic hydrocarbons,
including photochemistry, electron attachment/detachment, recombination processes …
including photochemistry, electron attachment/detachment, recombination processes …
Photodissociation of aliphatic PAH derivatives under relevant astrophysical conditions
Context. The interaction of polycyclic aromatic hydrocarbons (PAHs) with vacuum ultraviolet
(VUV) photons triggers the emission of the well-known aromatic infrared bands (AIBs), but …
(VUV) photons triggers the emission of the well-known aromatic infrared bands (AIBs), but …
Electronic spectroscopy of pahs
Polycyclic aromatic hydrocarbons are a class of molecules of broad interest that has long
been explored by various spectroscopic techniques. The electronic spectroscopy of these …
been explored by various spectroscopic techniques. The electronic spectroscopy of these …
Photo-stability of super-hydrogenated pahs determined by action spectroscopy experiments
M Wolf, HV Kiefer, J Langeland… - The Astrophysical …, 2016 - iopscience.iop.org
We have investigated the photo-stability of pristine and super-hydrogenated pyrene cations
(${{\rm {C}}} _ {16}{{\rm {H}}} _ {10+ m}^{+}, m= 0, 6,{\rm {}}\,{\rm {or}}\,{\rm {}} 16$) by means …
(${{\rm {C}}} _ {16}{{\rm {H}}} _ {10+ m}^{+}, m= 0, 6,{\rm {}}\,{\rm {or}}\,{\rm {}} 16$) by means …
Orion Bar as a window to the evolution of PAHs
MS Murga, MS Kirsanova, DS Wiebe… - Monthly Notices of the …, 2022 - academic.oup.com
We investigate the mid-infrared (IR) emission in the Orion Bar photodissociation region
(PDR), using archival photometric and spectroscopic observations from the United Kingdom …
(PDR), using archival photometric and spectroscopic observations from the United Kingdom …