12 results on '"Lee, Timothy J."'
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2. Modeling the infrared cascade spectra of small PAHs: the 11.2 μm band
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Mackie, Cameron J, Candian, Alessandra, Lee, Timothy J, and Tielens, Alexander GGM
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Chemical Physics ,Theoretical and Computational Chemistry ,Astrophysics::Solar and Stellar Astrophysics ,Astrophysics::Cosmology and Extragalactic Astrophysics ,Physics::Chemical Physics ,Astrophysics::Galaxy Astrophysics - Abstract
The profile of the 11.2 μm feature of the infrared (IR) cascade emission spectra of polycyclic aromatic hydrocarbon (PAH) molecules is investigated using a vibrational anharmonic method. Several factors are found to affect the profile including: the energy of the initially absorbed ultraviolet (UV) photon, the density of vibrational states, the anharmonic nature of the vibrational modes, the relative intensities of the vibrational modes, the rotational temperature of the molecule, and blending with nearby features. Each of these factors is explored independently and influence either the red or blue wing of the 11.2 μm feature. The majority impact solely the red wing, with the only factor altering the blue wing being the rotational temperature.
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- 2021
3. Cation, Anion, and Radical Isomers of C4H4N: Computational Characterization and Implications for Astrophysical and Planetary Environments
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Hendrix, Josie, Bera, Partha P, Lee, Timothy J, and Head-Gordon, Martin
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Particle and Plasma Physics ,Theoretical and Computational Chemistry ,Molecular ,Nuclear ,Physical Chemistry ,Atomic ,Physical Chemistry (incl. Structural) - Abstract
Nitrogen-containing ions and molecules in the gas phase have been detected in non-Earth environments such as dark molecular clouds and more recently in the atmosphere of Saturn's moon Titan. These molecules may serve as precursors to larger heterocyclic structures that provide the foundation of complex biological molecules. On Titan, molecules of m/z 66 have been detected by the Cassini mission, and species of the empirical formula C4H4N may contribute to this signature. We have characterized seven isomers of C4H4N in anionic, neutral radical, and cationic states using density functional theory. Structures were optimized using the range-separated hybrid ωB97X-V with the cc-pVTZ and aug-cc-pVTZ basis sets. Anionic and radical C4H4N favor cyclic structures with aromatic and quasi-aromatic electron arrangements, respectively. Interestingly, ionization from the radical surface to the cation induces significant changes in structural stability, and the global minimum for positively charged isomers is CH2CCHCNH+, a pseudo-linear species reminiscent of cyanoallene. Select formation pathways to these structures from Titan's existing or postulated gas-phase species, reactions that are also relevant for other astrophysical environments, are discussed. By characterizing C4H4N isomers, we have identified energetically stable anionic, radical, and cationic structures that may be present in Titan's atmosphere and dark molecular clouds.
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- 2020
4. The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres
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Fortney, Jonathan J., Robinson, Tyler D., Domagal-Goldman, Shawn, Del Genio, Anthony D., Gordon, Iouli E., Gharib-Nezhad, Ehsan, Lewis, Nikole, Sousa-Silva, Clara, Airapetian, Vladimir, Drouin, Brian, Hargreaves, Robert J., Huang, Xinchuan, Karman, Tijs, Ramirez, Ramses M., Rieker, Gregory B., Tennyson, Jonathan, Wordsworth, Robin, Yurchenko, Sergei N, Johnson, Alexandria V, Lee, Timothy J., Dong, Chuanfei, Kane, Stephen, Lopez-Morales, Mercedes, Fauchez, Thomas, Lee, Timothy, Marley, Mark S., Sung, Keeyoon, Haghighipour, Nader, Robinson, Tyler, Horst, Sarah, Gao, Peter, Kao, Der-you, Dressing, Courtney, Lupu, Roxana, Savin, Daniel Wolf, Fleury, Benjamin, Venot, Olivia, Ascenzi, Daniela, Milam, Stefanie, Linnartz, Harold, Gudipati, Murthy, Gronoff, Guillaume, Salama, Farid, Gavilan, Lisseth, Bouwman, Jordy, Turbet, Martin, Benilan, Yves, Henderson, Bryana, Batalha, Natalie, Jensen-Clem, Rebecca, Lyons, Timothy, Freedman, Richard, Schwieterman, Edward, Goyal, Jayesh, Mancini, Luigi, Irwin, Patrick, Desert, Jean-Michel, Molaverdikhani, Karan, Gizis, John, Taylor, Jake, Lothringer, Joshua, Pierrehumbert, Raymond, Zellem, Robert, Batalha, Natasha, Rugheimer, Sarah, Lustig-Yaeger, Jacob, Hu, Renyu, Kempton, Eliza, Arney, Giada, Line, Mike, Alam, Munazza, Moses, Julianne, Iro, Nicolas, Kreidberg, Laura, Blecic, Jasmina, Louden, Tom, Molliere, Paul, Stevenson, Kevin, Swain, Mark, Bott, Kimberly, Madhusudhan, Nikku, Krissansen-Totton, Joshua, Deming, Drake, Kitiashvili, Irina, Shkolnik, Evgenya, Rustamkulov, Zafar, Rogers, Leslie, and Close, Laird
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Earth and Planetary Astrophysics (astro-ph.EP) ,astro-ph.EP ,FOS: Physical sciences ,Astrophysics::Earth and Planetary Astrophysics ,Astrophysics - Earth and Planetary Astrophysics - Abstract
We are now on a clear trajectory for improvements in exoplanet observations that will revolutionize our ability to characterize their atmospheric structure, composition, and circulation, from gas giants to rocky planets. However, exoplanet atmospheric models capable of interpreting the upcoming observations are often limited by insufficiencies in the laboratory and theoretical data that serve as critical inputs to atmospheric physical and chemical tools. Here we provide an up-to-date and condensed description of areas where laboratory and/or ab initio investigations could fill critical gaps in our ability to model exoplanet atmospheric opacities, clouds, and chemistry, building off a larger 2016 white paper, and endorsed by the NAS Exoplanet Science Strategy report. Now is the ideal time for progress in these areas, but this progress requires better access to, understanding of, and training in the production of spectroscopic data as well as a better insight into chemical reaction kinetics both thermal and radiation-induced at a broad range of temperatures. Given that most published efforts have emphasized relatively Earth-like conditions, we can expect significant and enlightening discoveries as emphasis moves to the exotic atmospheres of exoplanets., Comment: Submitted as an Astro2020 Science White Paper
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- 2019
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5. Anharmonicity and the infrared emission spectrum of highly excited PAHs
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Chen, Tao, Mackie, Cameron, Candian, Alessandra, Lee, Timothy J., and Tielens, Alexander G. G. M.
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Chemical Physics (physics.chem-ph) ,Physics - Chemical Physics ,FOS: Physical sciences ,Physics::Chemical Physics ,Astrophysics - Instrumentation and Methods for Astrophysics ,Instrumentation and Methods for Astrophysics (astro-ph.IM) ,Astrophysics::Galaxy Astrophysics - Abstract
Aims. Infrared (IR) spectroscopy is a powerful tool to study molecules in space. A key issue in such analyses is understanding the effect that temperature and anharmonicity have on different vibrational bands, and thus interpreting the IR spectra for molecules under various conditions. Methods. We combined second order vibrational perturbation theory and the Wang-Landau random walk technique to produce accurate IR spectra of highly excited PAHs. We fully incorporated anharmonic effects, such as resonances, overtones, combination bands, and temperature effects. Results. The results are validated against experimental results for the pyrene molecule (C16H10). In terms of positions, widths, and relative intensities of the vibrational bands, our calculated spectra are in excellent agreement with gas-phase experimental data.
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- 2018
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6. High-resolution IR absorption spectroscopy of polycyclic aromatic hydrocarbons in the 3 ��m region: Role of periphery
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Maltseva, Elena, Petrignani, Annemieke, Candian, Alessandra, Mackie, Cameron J., Huang, Xinchuan, Lee, Timothy J., Tielens, Alexander G. G. M., and Buma, Wybren Jan
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Chemical Physics (physics.chem-ph) ,Astrophysics of Galaxies (astro-ph.GA) ,FOS: Physical sciences ,Astrophysics::Galaxy Astrophysics - Abstract
In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 ��m absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 cm-1 range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 ��m region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3 ��m band, and on features such as the two-component emission character of this band and the 3 ��m emission plateau., Accepted for publication on The Astrophysical Journal
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- 2016
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7. Formation and stability of C₆H₃⁺ isomers
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Peverati, Roberto, Bera, Partha P, Lee, Timothy J, and Head-Gordon, Martin
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Particle and Plasma Physics ,Theoretical and Computational Chemistry ,Molecular ,Nuclear ,Atomic ,Physical Chemistry (incl. Structural) - Abstract
The stability of the five main isomers of C6H3(+) was investigated using quantum chemical calculations. The cyclic isomers are stabilized by two complementary aromatic effects, first 6-electron π aromaticity, and second a more unusual three-center two-electron σ aromaticity. Two cyclic isomers sit at the bottom of the potential energy surface with energies very close to each other, with a third cyclic isomer slightly higher. The reaction barriers for the interconversion of these isomers, as well as to convert to low-energy linear isomers, are found to be very high with transition states that break both the π and the σ aromaticities. Finally, possibilities for forming the cyclic isomers via association reactions are discussed.
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- 2014
8. Spectroscopic Constants and Vibrational Frequencies for l-C3H+ and Isotopologues from Highly-Accurate Quartic Force Fields: The Detection of l-C3H+ in the Horsehead Nebula PDR Questioned
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Huang, Xinchuan, Fortenberry, Ryan C., and Lee, Timothy J.
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High Energy Astrophysical Phenomena (astro-ph.HE) ,Chemical Physics (physics.chem-ph) ,Physics - Chemical Physics ,FOS: Physical sciences ,Astrophysics - High Energy Astrophysical Phenomena ,Astrophysics::Galaxy Astrophysics - Abstract
Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in the rotational transition energies resulting from this difference in D on the order of 1 MHz for the lowest observed transition (J = 4
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- 2013
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9. High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1 ^1A' l-C3H-: A Possible Link to Lines Observed in the Horsehead Nebula PDR
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Fortenberry, Ryan C., Huang, Xinchuan, Crawford, T. Daniel, and Lee, Timothy J.
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Astrophysics - Solar and Stellar Astrophysics ,FOS: Physical sciences ,Astrophysics - Instrumentation and Methods for Astrophysics ,Instrumentation and Methods for Astrophysics (astro-ph.IM) ,Astrophysics::Galaxy Astrophysics ,Solar and Stellar Astrophysics (astro-ph.SR) - Abstract
It has been shown that rotational lines observed in the Horsehead nebula PDR are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 ^1A' C3H-. The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed Deff for C3H- is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H+. As a result, 1 ^1A' C3H- is a more viable candidate for these observed rotational transitions. It has been previously proposed that at least C6H- may be present in the Horsehead nebular PDR formed by way of radiative attachment through its dipole-bound excited state. C3H- could form in a similar way through its dipole-bound state, but its valence excited state increases the number of relaxation pathways possible to reach the ground electronic state. In turn, the rate of formation for C3H- could be greater than the rate of its destruction. C3H- would be the seventh confirmed interstellar anion detected within the past decade and the first CnH- molecular anion with an odd n., Comment: 26 pages, 1 figure, 4 tables
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- 2013
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10. On the energy invariance of open-shell perturbation theory with respect to unitary transformations of molecular orbitals
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Crawford, Daniel T., Crawford, T. Daniel, Schaefer, Henry F., Iii, Henry Schaefer F., and Lee, Timothy J.
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A number of recently proposed single-reference open-shell perturbation theories based on a spin-restricted open-shell Hartree-Fock reference function are examined, with an emphasis on a consistent formalism within which the theories may be compared. In particular, the effect of unitary transformations among the molecular orbitals on the energy is discussed. Of the seven different perturbation theories examined here, the restricted Mo&slas;;ller–Plesset theory, open-shell perturbation theory method 1, the method of Hubacˇ and Cˇa´rsky, Z-averaged perturbation theory, and invariant open-shell perturbation theory methods are found to be invariant to all types of rotations for which the reference wave function is unaffected, though all are invariant to transformations of a more limited nature. Explicit equations for the generalized invariant forms of each perturbation theory are presented, in order to provide working equations for extension of the theories to local correlation schemes or coupled-cluster perturbational corrections, among others.
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- 1996
11. Astro2020 Science White Paper The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres
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Jonathan Fortney, Robinson, Tyler D., Shawn Domagal-Goldman, Del Genio, Anthony D., Gordon, Iouli E., Ehsan Gharib-Nezhad, Nikole Lewis, Clara Sousa-Silva, Vladimir Airapetian, Brian Drouin, Hargreaves, Robert J., Xinchuan Huang, Tijs Karman, Ramirez, Ramses M., Rieker, Gregory B., Jonathan Tennyson, Robin Wordsworth, Yurchenko, Sergei N., Johnson, Alexandria V., Lee, Timothy J., Chuanfei Dong, Stephen Kane, Mercedes Lopez-Morales, Thomas Fauchez, Timothy Lee, Marley, Mark S., Keeyoon Sung, Nader Haghighipour, Tyler Robinson, Sarah Horst, Peter Gao, Der-You Kao, Courtney Dressing, Roxana Lupu, Daniel Wolf Savin, Benjamin Fleury, Olivia Venot, Daniela Ascenzi, Stefanie Milam, Harold Linnartz, Murthy Gudipati, Guillaume Gronoff, Farid Salama, Lisseth Gavilan, Jordy Bouwman, Martin Turbet, Yves Benilan, Bryana Henderson, Natalie Batalha, Rebecca Jensen-Clem, Timothy Lyons, Richard Freedman, Edward Schwieterman, Jayesh Goyal, Luigi Mancini, Patrick Irwin, Jean-Michel Desert, Karan Molaverdikhani, John Gizis, Jake Taylor, Joshua Lothringer, Raymond Pierrehumbert, Robert Zellem, Natasha Batalha, Sarah Rugheimer, Jacob Lustig-Yaeger, Renyu Hu, Eliza Kempton, Giada Arney, Mike Line, Munazza Alam, Julianne Moses, Nicolas Iro, Laura Kreidberg, Jasmina Blecic, Tom Louden, Paul Molliere, Kevin Stevenson, Mark Swain, Kimberly Bott, Nikku Madhusudhan, Joshua Krissansen-Totton, Drake Deming, Irina Kitiashvili, Evgenya Shkolnik, Zafar Rustamkulov, Leslie Rogers, Laird Close, and Venot, Olivia
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[SDU.ASTR] Sciences of the Universe [physics]/Astrophysics [astro-ph]
12. PDRs4All: A JWST Early Release Science Program on Radiative Feedback from Massive Stars
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Olivier Berné, Émilie Habart, Els Peeters, Alain Abergel, Edwin A. Bergin, Jeronimo Bernard-Salas, Emeric Bron, Jan Cami, Emmanuel Dartois, Asunción Fuente, Javier R. Goicoechea, Karl D. Gordon, Yoko Okada, Takashi Onaka, Massimo Robberto, Markus Röllig, Alexander G. G. M. Tielens, Sílvia Vicente, Mark G. Wolfire, Felipe Alarcón, C. Boersma, Amélie Canin, Ryan Chown, Daniel Dicken, David Languignon, Romane Le Gal, Marc W. Pound, Boris Trahin, Thomas Simmer, Ameek Sidhu, Dries Van De Putte, Sara Cuadrado, Claire Guilloteau, Alexandros Maragkoudakis, Bethany R. Schefter, Thiébaut Schirmer, Stéphanie Cazaux, Isabel Aleman, Louis Allamandola, Rebecca Auchettl, Giuseppe Antonio Baratta, Salma Bejaoui, Partha P. Bera, Goranka Bilalbegović, John H. Black, Francois Boulanger, Jordy Bouwman, Bernhard Brandl, Philippe Brechignac, Sandra Brünken, Andrew Burkhardt, Alessandra Candian, Jose Cernicharo, Marin Chabot, Shubhadip Chakraborty, Jason Champion, Sean W. J. Colgan, Ilsa R. Cooke, Audrey Coutens, Nick L. J. Cox, Karine Demyk, Jennifer Donovan Meyer, Cécile Engrand, Sacha Foschino, Pedro García-Lario, Lisseth Gavilan, Maryvonne Gerin, Marie Godard, Carl A. Gottlieb, Pierre Guillard, Antoine Gusdorf, Patrick Hartigan, Jinhua He, Eric Herbst, Liv Hornekaer, Cornelia Jäger, Eduardo Janot-Pacheco, Christine Joblin, Michael Kaufman, Francisca Kemper, Sarah Kendrew, Maria S. Kirsanova, Pamela Klaassen, Collin Knight, Sun Kwok, Álvaro Labiano, Thomas S.-Y. Lai, Timothy J. Lee, Bertrand Lefloch, Franck Le Petit, Aigen Li, Hendrik Linz, Cameron J. Mackie, Suzanne C. Madden, Joëlle Mascetti, Brett A. McGuire, Pablo Merino, Elisabetta R. Micelotta, Karl Misselt, Jon A. Morse, Giacomo Mulas, Naslim Neelamkodan, Ryou Ohsawa, Alain Omont, Roberta Paladini, Maria Elisabetta Palumbo, Amit Pathak, Yvonne J. Pendleton, Annemieke Petrignani, Thomas Pino, Elena Puga, Naseem Rangwala, Mathias Rapacioli, Alessandra Ricca, Julia Roman-Duval, Joseph Roser, Evelyne Roueff, Gaël Rouillé, Farid Salama, Dinalva A. Sales, Karin Sandstrom, Peter Sarre, Ella Sciamma-O’Brien, Kris Sellgren, Matthew J. Shannon, Sachindev S. Shenoy, David Teyssier, Richard D. Thomas, Aditya Togi, Laurent Verstraete, Adolf N. Witt, Alwyn Wootten, Nathalie Ysard, Henning Zettergren, Yong Zhang, Ziwei E. Zhang, Junfeng Zhen, Institut de recherche en astrophysique et planétologie (IRAP), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), Institut d'astrophysique spatiale (IAS), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Centre National d’Études Spatiales [Paris] (CNES), University of Western Ontario (UWO), Carl Sagan Center, SETI Institute, University of Michigan [Ann Arbor], University of Michigan System, Analytic and Computational Research, Inc. - Earth Sciences (ACRI-ST), Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique et Atmosphères = Laboratory for Studies of Radiation and Matter in Astrophysics and Atmospheres (LERMA), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Observatorio Astronomico Nacional, Madrid, Instituto de Física Fundamental [Madrid] (IFF), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Universiteit Gent = Ghent University (UGENT), Space Telescope Science Institute (STSci), Physikalisches Institut [Köln], Universität zu Köln = University of Cologne, Meisei University, The University of Tokyo (UTokyo), Leiden Observatory [Leiden], Universiteit Leiden, Johns Hopkins University (JHU), Instituto de Astrofísica e Ciências do Espaço (IASTRO), University of Maryland [College Park], University of Maryland System, NASA Ames Research Center (ARC), Institut de Planétologie et d'Astrophysique de Grenoble (IPAG), Centre National d'Études Spatiales [Toulouse] (CNES)-Observatoire des Sciences de l'Univers de Grenoble (OSUG ), Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Météo-France -Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Météo-France, Institut de RadioAstronomie Millimétrique (IRAM), Centre National de la Recherche Scientifique (CNRS), Signal et Communications (IRIT-SC), Institut de recherche en informatique de Toulouse (IRIT), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Toulouse Mind & Brain Institut (TMBI), Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT), Institut National Polytechnique (Toulouse) (Toulouse INP), Onsala Space Observatory (OSO), Chalmers University of Technology [Göteborg], Delft University of Technology (TU Delft), Universidade Federal de Itajubá, Bay Area Environmental Research Institute (BAER), Australian Synchrotron [Clayton], INAF - Osservatorio Astrofisico di Catania (OACT), Istituto Nazionale di Astrofisica (INAF), University of Zagreb, Laboratoire de physique de l'ENS - ENS Paris (LPENS), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)-Département de Physique de l'ENS-PSL, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL), University of Colorado [Boulder], Institute for Molecules and Materials [Nijmegen], Radboud University [Nijmegen], Wellesley College, Laboratoire de Physique des 2 Infinis Irène Joliot-Curie (IJCLab), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), University of British Columbia (UBC), National Radio Astronomy Observatory [Charlottesville] (NRAO), National Radio Astronomy Observatory (NRAO), European Space Astronomy Centre (ESAC), Agence Spatiale Européenne = European Space Agency (ESA), Harvard-Smithsonian Center for Astrophysics (CfA), Harvard University-Smithsonian Institution, Institut d'Astrophysique de Paris (IAP), Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.), Rice University [Houston], Yunnan Observatories, Chinese Academy of Sciences [Changchun Branch] (CAS), Universidad de Chile = University of Chile [Santiago] (UCHILE), University of Virginia, Aarhus University [Aarhus], Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], Instituto de Astronomia, Geofísica e Ciências Atmosféricas [São Paulo] (IAG), Universidade de São Paulo = University of São Paulo (USP), San Jose State University [San Jose] (SJSU), European Southern Observatory (ESO), Academia Sinica Institute of Astronomy and Astrophysics (ASIAA), Academia Sinica, Institute of Astronomy of the Russian Academy of Sciences (INASAN), Russian Academy of Sciences [Moscow] (RAS), UK Astronomy Technology Centre (UK ATC), Science and Technology Facilities Council (STFC), Telespazio, Services par satellites, Infrared Processing and Analysis Center (IPAC), California Institute of Technology (CALTECH), University of Missouri [Columbia] (Mizzou), University of Missouri System, Max Planck Institute for Astronomy (MPIA), CAS Key Laboratory of Crust–Mantle Materials and Environments [Hefei], School of Earth and Space Sciences [Hefei], University of Science and Technology of China [Hefei] (USTC)-University of Science and Technology of China [Hefei] (USTC)-Chinese Academy of Sciences [Beijing] (CAS), Lawrence Berkeley National Laboratory [Berkeley] (LBNL), University of California [Berkeley] (UC Berkeley), University of California (UC), Astrophysique Interprétation Modélisation (AIM (UMR_7158 / UMR_E_9005 / UM_112)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Massachusetts Institute of Technology (MIT), Instituto de Ciencia de Materiales de Madrid (ICMM), Helsingin yliopisto = Helsingfors universitet = University of Helsinki, Steward Observatory, University of Arizona, INAF - Osservatorio Astronomico di Cagliari (OAC), United Arab Emirates University (UAEU), National Astronomical Observatory of Japan (NAOJ), Banaras Hindu University [Varanasi] (BHU), University of Amsterdam [Amsterdam] (UvA), Laboratoire de Chimie et Physique Quantiques Laboratoire (LCPQ), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées - 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- Subjects
Gaseous Nebulae ,FOS: Physical sciences ,Astronomy and Astrophysics ,Astrophysics::Cosmology and Extragalactic Astrophysics ,FELIX Infrared and Terahertz Spectroscopy ,Star Forming Regions ,Astrophysics - Astrophysics of Galaxies ,Infrared Telescopes ,Space and Planetary Science ,Astrophysics of Galaxies (astro-ph.GA) ,Astrophysics::Solar and Stellar Astrophysics ,[INFO]Computer Science [cs] ,Photodissociation Regions ,Astrophysics::Earth and Planetary Astrophysics ,Polycyclic Aromatic Hydrocarbons ,[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph] ,James Webb Space Telescope (JWST) ,Photo-Dissociation Regions (PDRs) ,Massive stars ,Orion Bar ,MIRI ,NIRSpec ,NIRCam ,Astrophysics::Galaxy Astrophysics - Abstract
22 pags., 8 figs., 1 tab., Massive stars disrupt their natal molecular cloud material through radiative and mechanical feedback processes. These processes have profound effects on the evolution of interstellar matter in our Galaxy and throughout the universe, from the era of vigorous star formation at redshifts of 1-3 to the present day. The dominant feedback processes can be probed by observations of the Photo-Dissociation Regions (PDRs) where the far-ultraviolet photons of massive stars create warm regions of gas and dust in the neutral atomic and molecular gas. PDR emission provides a unique tool to study in detail the physical and chemical processes that are relevant for most of the mass in inter-and circumstellar media including diffuse clouds, proto-planetary disks, and molecular cloud surfaces, globules, planetary nebulae, and star-forming regions. PDR emission dominates the infrared (IR) spectra of star-forming galaxies. Most of the Galactic and extragalactic observations obtained with the James Webb Space Telescope (JWST) will therefore arise in PDR emission. In this paper we present an Early Release Science program using the MIRI, NIRSpec, and NIRCam instruments dedicated to the observations of an emblematic and nearby PDR: the Orion Bar. These early JWST observations will provide template data sets designed to identify key PDR characteristics in JWST observations. These data will serve to benchmark PDR models and extend them into the JWST era. We also present the Science-Enabling products that we will provide to the community. These template data sets and Science-Enabling products will guide the preparation of future proposals on star-forming regions in our Galaxy and beyond and will facilitate data analysis and interpretation of forthcoming JWST observations., Support for JWST-ERS program ID 1288 was provided through grants from the STScI under NASA contract NAS5-03127 to STScI (K.G., D.V.D.P., M.R.), Univ. of Maryland (M.W., M.P.), Univ. of Michigan (E.B., F.A.), and Univ. of Toledo (T.S.-Y.L.). O.B. and E.H. are supported by the Programme National “Physique et Chimie du Milieu Interstellaire” (PCMI) of CNRS/INSU with INC/INP co-funded by CEA and CNES, and through APR grants 6315 and 6410 provided by CNES. E. P. and J.C. acknowledge support from the National Science and Engineering Council of Canada (NSERC) Discovery Grant program (RGPIN-2020-06434 and RGPIN-2021-04197 respectively). E.P. acknowledges support from a Western Strategic Support Accelerator Grant (ROLA ID 0000050636). J.R.G. and S.C. thank the Spanish MCINN for funding support under grant PID2019-106110GB-I00. Work by M.R. and Y.O. is carried out within the Collaborative Research Centre 956, subproject C1, funded by the Deutsche Forschungsgemeinschaft (DFG)—project ID 184018867. T.O. acknowledges support from JSPS Bilateral Program, grant No. 120219939. M.P. and M.W. acknowledge support from NASA Astrophysics Data Analysis Program award #80NSSC19K0573. C.B. is grateful for an appointment at NASA Ames Research Center through the San José State University Research Foundation (NNX17AJ88A) and acknowledges support from the Internal Scientist Funding Model (ISFM) Directed Work Package at NASA Ames titled: “Laboratory Astrophysics—The NASA Ames PAH IR Spectroscopic Database.”
- Published
- 2022
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