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Polycyclic Aromatic Hydrocarbons as an Extraterrestrial Atmospheric Technosignature
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Radiative Stabilization of the Indenyl Cation: Recurrent Fluorescence in a Closed-Shell Polycyclic Aromatic Hydrocarbon
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JWST observations of the Ring Nebula (NGC 6720) – II. PAH emission
Nicholas Clark, Els Peeters, Nick L J Cox, Jan Cami, Michael J Barlow, Patrick J Kavanagh, Griet Van de Steene, Mikako Matsuura, Albert Zijlstra, Isabel Aleman, Jeronimo Bernard-Salas, Harriet L Dinerstein, Kay Justtanont, Kyle F Kaplan, Arturo Manchado, Raghvendra Sahai, Peter van Hoof, Kevin Volk and Roger Wesson Monthly Notices of the Royal Astronomical Society 540(2) 1984 (2025) https://doi.org/10.1093/mnras/staf826
Polycyclic aromatic hydrocarbon and the ultraviolet extinction bump at the cosmic dawn
Benchmarking Time-dependent Density Functional Theory for the prediction of electronic absorption spectra of amorphous ices for astrochemical applications
Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs
Alberto Martín Santa Daría, Lola González-Sánchez and Sandra Gómez Physical Chemistry Chemical Physics 26(1) 174 (2024) https://doi.org/10.1039/D3CP03656A
Analysis of the 3.2–3.3 μm Interstellar Absorption Feature on Three Milky Way Sightlines
The reverse-DADI method: Computation of frequency-dependent atomic polarizabilities for carbon and hydrogen atoms in hydrocarbon structures
N. Brosseau-Habert, F. Miradji, S. Picaud and M. Devel Journal of Quantitative Spectroscopy and Radiative Transfer 329 109194 (2024) https://doi.org/10.1016/j.jqsrt.2024.109194
DFT and Model Hamiltonian Study of Optoelectronic Properties of Some Low-Symmetry Graphene Quantum Dots
Kelly E. Miller, Gianrico Filacchione, Jeffrey N. Cuzzi, Philip D. Nicholson, Matthew M. Hedman, Kevin Baillié, Robert E. Johnson, Wei-Ling Tseng, Paul R. Estrada, Jack Hunter Waite, Mauro Ciarniello, Cécile Ferrari, Zhimeng Zhang, Amanda Hendrix, Julianne I. Moses and Hsiang-Wen Hsu Space Science Reviews 220(6) (2024) https://doi.org/10.1007/s11214-024-01104-y
Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory
Ian T. Beck, Erica C. Mitchell, Annabelle Webb Hill, Justin M. Turney, Brandon Rotavera and Henry F. Schaefer The Journal of Physical Chemistry A 128(50) 10906 (2024) https://doi.org/10.1021/acs.jpca.4c04391
Accurate Electronic and Optical Properties of Organic Doublet Radicals Using Machine Learned Range-Separated Functionals
Cheng-Wei Ju, Yili Shen, Ethan J. French, Jun Yi, Hongshan Bi, Aaron Tian and Zhou Lin The Journal of Physical Chemistry A 128(12) 2457 (2024) https://doi.org/10.1021/acs.jpca.3c07437
Isomerisation of phenanthrene dication studied by tagging photodissociation ion spectroscopy and DFT calculations
Fragmentation of the PAH cations of Isoviolanthrene and Dicoronylene: A case made for interstellar cyclo[n]carbons as products of universal fragmentation processes
Helgi Rafn Hrodmarsson, Jordy Bouwman, Alexander G.G.M. Tielens and Harold Linnartz International Journal of Mass Spectrometry 485 116996 (2023) https://doi.org/10.1016/j.ijms.2022.116996
Magnification of Plasmon Resonances in Monolayer MoS2 via Conjugated Molecular Adsorbates
Juan Pablo Guerrero-Felipe, Ana M. Valencia and Caterina Cocchi The Journal of Physical Chemistry C 127(49) 23926 (2023) https://doi.org/10.1021/acs.jpcc.3c05923
Electronic spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration
Detection of polycyclic aromatic hydrocarbons on a sample of comets
V. Venkataraman, Arijit Roy, R. Ramachandran, H. M. Quitián-Lara, H. Hill, B. N. RajaSekhar, Anil Bhardwaj, N. J. Mason and B. Sivaraman Journal of Astrophysics and Astronomy 44(2) (2023) https://doi.org/10.1007/s12036-023-09977-1
Far-ultraviolet Dust Extinction and Molecular Hydrogen in the Diffuse Milky Way Interstellar Medium
Dries Van De Putte, Stefan I. B. Cartledge, Karl D. Gordon, Geoffrey C. Clayton and Julia Roman-Duval The Astrophysical Journal 944(1) 33 (2023) https://doi.org/10.3847/1538-4357/ac9902
Characterizing the efficiency of low-cost LED lights for conducting laboratory studies to investigate polycyclic aromatic hydrocarbon photodegradation processes
Theoretical study of infrared and ultraviolet spectra of 14 isomers of C24 and comparison with astronomical observations
Venkata Lakshmi Karri, Sumalya Kaluva, Ajay Chaudhari, Takashi Onaka and Mahadevappa Naganathappa Monthly Notices of the Royal Astronomical Society 519(2) 2186 (2022) https://doi.org/10.1093/mnras/stac2767
Contribution of polycyclic aromatic hydrocarbon ionization to neutral gas heating in galaxies: model versus observations
QM/MM optimization with quantum coupling: Host–guest interactions in a pentacene-doped p-terphenyl crystal
Andrés I. Bertoni, Richard M. Fogarty, Cristián G. Sánchez and Andrew P. Horsfield The Journal of Chemical Physics 156(4) (2022) https://doi.org/10.1063/5.0079788
Time-Dependent Density Functional Study of Nitrogen-Substituted Polycyclic Aromatic Hydrocarbons and Diffuse Interstellar Bands
Isomer Differentiation of Trapped C16H10+ Using Low-Energy Collisions and Visible/VUV Photons
M. Viswanathan Vinitha, Venkateswara Rao Mundlapati, Alexandre Marciniak, et al. The Journal of Physical Chemistry A 126(33) 5632 (2022) https://doi.org/10.1021/acs.jpca.2c03304
Multiphoton ionization and dissociation of polycyclic aromatic hydrocarbon molecules of astrophysical interest
C14H10 polycyclic aromatic hydrocarbon formation by acetylene addition to naphthalenyl radicals observed
Jeehyun Yang, Mica C. Smith, Matthew B. Prendergast, Te-Chun Chu and William H. Green Physical Chemistry Chemical Physics 23(26) 14325 (2021) https://doi.org/10.1039/D1CP01565F
In situ characterisation of absorbing species in stationary premixed flat flames using UV–Vis absorption spectroscopy
Infrared Spectroscopy of Chemically Diverse Carbon Clusters: A Data-Driven Approach
Florent Calvo, Aude Simon, Pascal Parneix, Cyril Falvo and Clément Dubosq The Journal of Physical Chemistry A 125(25) 5509 (2021) https://doi.org/10.1021/acs.jpca.1c03368
Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Acetylene (C2H2) and D2-acetylene (C2D2) Ices Exposed to Ionizing Radiation via Ultraviolet–Visible Spectroscopy, Infrared Spectroscopy, and Reflectron Time-of-flight Mass Spectrometry
Unimolecular fragmentation and radiative cooling of isolated PAH ions: A quantitative study
Mark H. Stockett, James N. Bull, Jack T. Buntine, Eduardo Carrascosa, MingChao Ji, Naoko Kono, Henning T. Schmidt and Henning Zettergren The Journal of Chemical Physics 153(15) (2020) https://doi.org/10.1063/5.0027773
Absolute measurements of the double differential electronic emission cross-sections of isolated pyrene molecule (C16H10) in interaction with keV protons
M-C Ji, J-P Champeaux, P Moretto-Capelle, et al. Journal of Physics B: Atomic, Molecular and Optical Physics 53(22) 225207 (2020) https://doi.org/10.1088/1361-6455/abaafc
Modelling the absorption spectra of polycyclic aromatic hydrocarbons over Seoul, South Korea
Luís Pinto da Silva, Tiago B. Dias and Joaquim C.G. Esteves da Silva Environmental Technology & Innovation 17 100536 (2020) https://doi.org/10.1016/j.eti.2019.100536
Rationalization of photo-detachment spectra of the indenyl anion (C9H7−) from the perspective of vibronic coupling theory
Abhishek Kumar, Shweta Agrawal, T. Rajagopala Rao and Rudraditya Sarkar Physical Chemistry Chemical Physics 21(40) 22359 (2019) https://doi.org/10.1039/C9CP04594E
Correlated Electronic States of a Few Polycyclic Aromatic Hydrocarbons: A Computational Study
Laboratory Gas-phase Infrared Spectra of Two Astronomically Relevant PAH Cations: Diindenoperylene,
and Dicoronylene,
Junfeng Zhen, Alessandra Candian, Pablo Castellanos, Jordy Bouwman, Harold Linnartz and Alexander G. G. M. Tielens The Astrophysical Journal 854(1) 27 (2018) https://doi.org/10.3847/1538-4357/aaa7f2
Alternating oligo(o,p-phenylenes) via ruthenium catalyzed diol–diene benzannulation: orthogonality to cross-coupling enables de novo nanographene and PAH construction
Low-lying, Rydberg states of polycyclic aromatic hydrocarbons (PAHs) and cyclic alkanes
E. Bohl, B. Mignolet, J. O. Johansson, F. Remacle and E. E. B. Campbell Physical Chemistry Chemical Physics 19(35) 24090 (2017) https://doi.org/10.1039/C7CP03913A
Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study
Infrared spectra of ovalene (C32H14) and hydrogenated ovalene (C32H15˙) in solid para-hydrogen
Masashi Tsuge, Mohammed Bahou, Yu-Jong Wu, Louis Allamandola and Yuan-Pern Lee Physical Chemistry Chemical Physics 18(41) 28864 (2016) https://doi.org/10.1039/C6CP05701B
VUV spectroscopy of carbon dust analogs: contribution to interstellar extinction
THE INFRARED SPECTRUM OF PROTONATED OVALENE IN SOLID PARA-HYDROGEN AND ITS POSSIBLE CONTRIBUTION TO INTERSTELLAR UNIDENTIFIED INFRARED EMISSION
Masashi Tsuge, Mohammed Bahou, Yu-Jong Wu, Louis Allamandola and Yuan-Pern Lee The Astrophysical Journal 825(2) 96 (2016) https://doi.org/10.3847/0004-637X/825/2/96
David Cheyns, Pierre M. Beaujuge, Volker van Elsbergen, Jean-Charles Ribierre, Roberto Cardia, Giuliano Malloci, Giovanni Serra, Andrea Bosin and Giancarlo Cappellini 9895 98950D (2016) https://doi.org/10.1117/12.2229744
An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters
Léo Dontot, Nicolas Suaud, Mathias Rapacioli and Fernand Spiegelman Physical Chemistry Chemical Physics 18(5) 3545 (2016) https://doi.org/10.1039/C5CP06344B
VUV PHOTO-PROCESSING OF PAH CATIONS: QUANTITATIVE STUDY ON THE IONIZATION VERSUS FRAGMENTATION PROCESSES
Junfeng Zhen, Sarah Rodriguez Castillo, Christine Joblin, Giacomo Mulas, Hassan Sabbah, Alexandre Giuliani, Laurent Nahon, Serge Martin, Jean-Philippe Champeaux and Paul M. Mayer The Astrophysical Journal 822(2) 113 (2016) https://doi.org/10.3847/0004-637X/822/2/113
Theory of linear optical absorption in diamond-shaped graphene quantum dots
Near edge X-ray absorption mass spectrometry on coronene
G. Reitsma, L. Boschman, M. J. Deuzeman, S. Hoekstra, R. Hoekstra and T. Schlathölter The Journal of Chemical Physics 142(2) (2015) https://doi.org/10.1063/1.4905471
Internal conversion outcompetes autodetachment from resonances in the deprotonated tetracene anion continuum
James N. Bull, Christopher W. West and Jan R. R. Verlet Physical Chemistry Chemical Physics 17(48) 32464 (2015) https://doi.org/10.1039/C5CP05388A
Temporal and spectral characterization of femtosecond deep-UV chirped pulses
Mohammadhassan Valadan, Davide D’Ambrosio, Felice Gesuele, Raffaele Velotta and Carlo Altucci Laser Physics Letters 12(2) 025302 (2015) https://doi.org/10.1088/1612-2011/12/2/025302
First results of the ORGANIC experiment on EXPOSE-R on the ISS
Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons
Caterina Cocchi, Deborah Prezzi, Alice Ruini, Marilia J. Caldas and Elisa Molinari The Journal of Physical Chemistry A 118(33) 6507 (2014) https://doi.org/10.1021/jp503054j
Laser induced fluorescence spectroscopy of aromatic species produced in atmospheric sooting flames using UV and visible excitation wavelengths
Simulations of Light Absorption of Carbon Particles in Nanoaerosol Clusters
Thomas Hede, N. Arul Murugan, Jacob Kongsted, Caroline Leck and Hans Ågren The Journal of Physical Chemistry A 118(10) 1879 (2014) https://doi.org/10.1021/jp412384j
Ultraviolet laser desorption/ionization mass spectrometry of single-core and multi-core polyaromatic hydrocarbons under variable conditions of collisional cooling: insights into the generation of molecular ions, fragments and oligomers
Francisco Gámez, Ana R. Hortal, Bruno Martínez-Haya, Jens Soltwisch and Klaus Dreisewerd Journal of Mass Spectrometry 49(11) 1127 (2014) https://doi.org/10.1002/jms.3433
CHARACTERIZING ULTRAVIOLET AND INFRARED OBSERVATIONAL PROPERTIES FOR GALAXIES. II. FEATURES OF ATTENUATION LAW
THE ABUNDANCES OF HYDROCARBON FUNCTIONAL GROUPS IN THE INTERSTELLAR MEDIUM INFERRED FROM LABORATORY SPECTRA OF HYDROGENATED AND METHYLATED POLYCYCLIC AROMATIC HYDROCARBONS
A universal matter-wave interferometer with optical ionization gratings in the time domain
Philipp Haslinger, Nadine Dörre, Philipp Geyer, Jonas Rodewald, Stefan Nimmrichter and Markus Arndt Nature Physics 9(3) 144 (2013) https://doi.org/10.1038/nphys2542
Theoretical Study on Molecules of Interstellar Interest. I. Radical Cation of Noncompact Polycyclic Aromatic Hydrocarbons
Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study
Yasushi Honda, Tadamasa Shida and Hiroshi Nakatsuji The Journal of Physical Chemistry A 116(48) 11833 (2012) https://doi.org/10.1021/jp3051565
Fluorescence of the perylene radical cation and an inaccessible D/D1 conical intersection: An MMVB, RASSCF, and TD-DFT computational study
Andrei M. Tokmachev, Martial Boggio-Pasqua, David Mendive-Tapia, Michael J. Bearpark and Michael A. Robb The Journal of Chemical Physics 132(4) (2010) https://doi.org/10.1063/1.3278545
Laser desorption postionization for imaging MS of biological material
Artem Akhmetov, Jerry F. Moore, Gerald L. Gasper, Peter J. Koin and Luke Hanley Journal of Mass Spectrometry 45(2) 137 (2010) https://doi.org/10.1002/jms.1716
Photodissociation of [Fex(C24H12)y]+ Complexes in the PIRENEA Setup: Iron-Polycyclic Aromatic Hydrocarbon Clusters as Candidates for Very Small Interstellar Grains
Optical and magnetic properties of boron fullerenes
Silvana Botti, Alberto Castro, Nektarios N. Lathiotakis, Xavier Andrade and Miguel A. L. Marques Physical Chemistry Chemical Physics 11(22) 4523 (2009) https://doi.org/10.1039/b902278c
Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons
Heidi H. Falden, Kasper R. Falster-Hansen, Keld L. Bak, Sten Rettrup and Stephan P. A. Sauer The Journal of Physical Chemistry A 113(43) 11995 (2009) https://doi.org/10.1021/jp9037123
Evidence of neutral radical induced analyte ion transformations in APPI and Near-VUV APLI
Hendrik Kersten, Valerie Funcke, Matthias Lorenz, et al. Journal of the American Society for Mass Spectrometry 20(10) 1868 (2009) https://doi.org/10.1016/j.jasms.2009.06.014
Protonated PAHs as carriers of diffuse interstellar bands
Photostability via Sloped Conical Intersections: A Computational Study of the Pyrene Radical Cation
Andrei M. Tokmachev, Martial Boggio-Pasqua, Michael J. Bearpark and Michael A. Robb The Journal of Physical Chemistry A 112(43) 10881 (2008) https://doi.org/10.1021/jp8044109