Infrared bands of neutral gas-phase carbon clusters in a broad spectral range

Ferrari, Piero; Lemmens, Alexander K.; Redlich, Britta

doi:10.1039/d3cp05756a

Title: Infrared bands of neutral gas-phase carbon clusters in a broad spectral range

Journal Article · 08 April 2024 · Physical Chemistry Chemical Physics. PCCP

DOI: https://doi.org/10.1039/d3cp05756a · OSTI ID:2470920

^[1]; Lemmens, Alexander K. ^[2]; Redlich, Britta ^[1]

Radboud University, Nijmegen (Netherlands)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

The identification of species in the interstellar medium requires precise and molecule-specific spectroscopic information in the laboratory framework, in broad spectral ranges and under conditions relevant to interstellar environments. In this work, we measure the gas-phase infrared spectra of neutral carbon clusters, C_N (N = 6–11), in a molecular beam. The C_N distribution is formed by photofragmentation of C₆₀ molecules, concurrently showing a top-down formation mechanism. A broad spectral range in the infrared between 500–3200 cm^-1 (20–3.125 μm) is investigated. We observe strong bands between 5 and 6 μm, in conjunction with novel features in the 3 μm region. Density functional theory calculations reveal that these short wavelength modes correspond to combination bands with significant infrared intensity. Moreover, we identify the N ≤ 10 clusters as linear, while C₁₁ adopts a ring configuration, placing the linear-to-ring transition at N = 11 under our molecular beam conditions. The linearity of C₁₀ is discussed based on the formation pathway from larger clusters in energetic conditions. Given the vast and very precise infrared information already been released from the James Webb Space Telescope mission, this infrared spectroscopic data set in conjunction with information on formation mechanisms is of major relevance for identifying neutral carbon clusters in astronomical environments.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2470920

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 16 Vol. 26; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

References (45)

Three structural types of carbon cluster anions and the magic numbers Jiao, Charles Q.; Phelps, Donald K.; Lee, Samuel Rapid Communications in Mass Spectrometry, Vol. 7, Issue 5 https://doi.org/10.1002/rcm.1290070518	journal	May 1993
The electronic and molecular structure of carbon clusters: C8 and C10 Parasuk, V.; Alml�f, J. Theoretica Chimica Acta, Vol. 83, Issue 3-4 https://doi.org/10.1007/BF01132831	journal	January 1992
Infrared bands of mass-selected carbon chains Cn (n = 8−12) and Cn− (n = 5−10, 12) in neon matrices Freivogel, Patrick; Grutter, Michel; Forney, Daniel Chemical Physics, Vol. 216, Issue 3 https://doi.org/10.1016/S0301-0104(97)00038-4	journal	April 1997
The Cologne Carbon Cluster Experiment: ro-vibrational spectroscopy on C8 and other small carbon clusters Neubauer-Guenther, P.; Giesen, T. F.; Berndt, U. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 59, Issue 3 https://doi.org/10.1016/S1386-1425(02)00380-3	journal	February 2003
Isomer-resolved dissociation of small carbon cluster cations, C7+–C10+ Koyasu, Kiichirou; Ohtaki, Tomohiro; Hori, Noriaki Chemical Physics Letters, Vol. 523 https://doi.org/10.1016/j.cplett.2011.12.032	journal	January 2012
Possible lower energy isomer of carbon clusters C (n = 11, 12) via particle swarm optimization algorithm: Ab initio investigation Shi, Lan-Ting; Wang, Zhao-Qi; Hu, Cui-E Chemical Physics Letters, Vol. 721 https://doi.org/10.1016/j.cplett.2019.02.028	journal	April 2019
Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following Ásgeirsson, Vilhjálmur; Birgisson, Benedikt Orri; Bjornsson, Ragnar Journal of Chemical Theory and Computation, Vol. 17, Issue 8 https://doi.org/10.1021/acs.jctc.1c00462	journal	July 2021
Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials Furman, David; Naumkin, Fedor; Wales, David J. The Journal of Physical Chemistry A, Vol. 126, Issue 15 https://doi.org/10.1021/acs.jpca.2c00834	journal	April 2022
Far-IR Absorption of Neutral Polycyclic Aromatic Hydrocarbons (PAHs): Light on the Mechanism of IR–UV Ion Dip Spectroscopy Lemmens, Alexander K.; Rap, Daniël B.; Thunnissen, Johannes M. M. The Journal of Physical Chemistry Letters, Vol. 11, Issue 21 https://doi.org/10.1021/acs.jpclett.0c02714	journal	October 2020
Photofragment Imaging of Carbon Cluster Cations: Explosive Ring Rupture Dynak, Nathan J.; Rittgers, Brandon M.; Colley, Jason E. The Journal of Physical Chemistry Letters, Vol. 13, Issue 21 https://doi.org/10.1021/acs.jpclett.2c00950	journal	May 2022
Ionization Thresholds of Small Carbon Clusters: Tunable VUV Experiments and Theory Belau, Leonid; Wheeler, Steven E.; Ticknor, Brian W. Journal of the American Chemical Society, Vol. 129, Issue 33 https://doi.org/10.1021/ja072526q	journal	July 2007
Ab Initio Characterization of C₆ Massó, H.; Senent, M. L. The Journal of Physical Chemistry A, Vol. 113, Issue 45 https://doi.org/10.1021/jp902083c	journal	May 2009
Laboratory confirmation of C60+ as the carrier of two diffuse interstellar bands Campbell, E. K.; Holz, M.; Gerlich, D. Nature, Vol. 523, Issue 7560 https://doi.org/10.1038/nature14566	journal	July 2015
Open questions on carbon-based molecules in space Hansen, Christopher S.; Peeters, Els; Cami, Jan Communications Chemistry, Vol. 5, Issue 1 https://doi.org/10.1038/s42004-022-00714-3	journal	August 2022
The rich 6 to 9 $\vec\mu$m spectrum of interstellar PAHs Peeters, E.; Hony, S.; Van Kerckhoven, C. Astronomy & Astrophysics, Vol. 390, Issue 3 https://doi.org/10.1051/0004-6361:20020773	journal	August 2002
High resolution infrared spectra of the linear carbon cluster C7: The ν4 stretching fundamental band and associated hot bands Neubauer-Guenther, P.; Giesen, T. F.; Schlemmer, S. The Journal of Chemical Physics, Vol. 127, Issue 1 https://doi.org/10.1063/1.2749520	journal	July 2007
Carbon clusters: The structure of C1 studied with configuration interaction methods Liang, Congxin; Schaefer, Henry F. The Journal of Chemical Physics, Vol. 93, Issue 12 https://doi.org/10.1063/1.459223	journal	December 1990
Structures of carbon cluster ions from 3 to 60 atoms: Linears to rings to fullerenes von Helden, Gert; Hsu, Ming‐Teh; Kemper, Paul R. The Journal of Chemical Physics, Vol. 95, Issue 5 https://doi.org/10.1063/1.460783	journal	September 1991
Fourier transform infrared isotopic study of the ν4 and ν5 stretching modes of linear C6 in Ar at 10 K Kranze, Richard H.; Graham, W. R. M. The Journal of Chemical Physics, Vol. 98, Issue 1 https://doi.org/10.1063/1.464618	journal	January 1993
Infrared laser spectroscopy of jet-cooled carbon clusters: The bending dynamics of linear C9 Orden, A. Van; Hwang, H. J.; Kuo, E. W. The Journal of Chemical Physics, Vol. 98, Issue 9 https://doi.org/10.1063/1.464785	journal	May 1993
Fourier transform infrared observation of the ν7 stretching mode of linear C9 in Ar at 10 K Kranze, R. H.; Withey, P. A.; Rittby, C. M. L. The Journal of Chemical Physics, Vol. 103, Issue 16 https://doi.org/10.1063/1.470364	journal	October 1995
Infrared laser spectroscopy of jet-cooled carbon clusters: The ν5 band of linear C9 Van Orden, A.; Provencal, R. A.; Keutsch, F. N. The Journal of Chemical Physics, Vol. 105, Issue 15 https://doi.org/10.1063/1.472470	journal	October 1996
Use of density functional theory method to calculate structures of neutral carbon clusters Cn (3 ≤ n ≤ 24) and study their variability of structural forms Yen, T. W.; Lai, S. K. The Journal of Chemical Physics, Vol. 142, Issue 8 https://doi.org/10.1063/1.4908561	journal	February 2015
Formation of buckminsterfullerene (C60) in interstellar space Berne, O.; Tielens, A. G. G. M. Proceedings of the National Academy of Sciences, Vol. 109, Issue 2 https://doi.org/10.1073/pnas.1114207108	journal	December 2011
Infrared laser spectroscopy of jet-cooled carbon clusters: Structure of triplet C ₆ Hwang, H. J.; Van Orden, A.; Tanaka, K. Molecular Physics, Vol. 79, Issue 4 https://doi.org/10.1080/00268979300101611	journal	July 1993
Radiative cooling of size-selected gas phase clusters Ferrari, Piero; Janssens, Ewald; Lievens, Peter International Reviews in Physical Chemistry, Vol. 38, Issue 3-4 https://doi.org/10.1080/0144235X.2019.1678929	journal	October 2019
Detection of C2 in the interstellar spectrum of Cygnus OB2 number 12 /VI Cygni number 12/ Souza, S. P.; Lutz, B. L. The Astrophysical Journal, Vol. 216 https://doi.org/10.1086/182507	journal	August 1977
Knockout driven reactions in complex molecules and their clusters Gatchell, Michael; Zettergren, Henning Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 16 https://doi.org/10.1088/0953-4075/49/16/162001	journal	August 2016
Thermal radiative cooling of carbon cluster cations CN+, N = 9, 11, 12, 17–27 Iida, Shimpei; Hu, Wei; Zhang, Rui Monthly Notices of the Royal Astronomical Society, Vol. 514, Issue 1 https://doi.org/10.1093/mnras/stac1349	journal	May 2022
Electronic and vibrational radiative cooling of the small carbon clusters C4− and C6− Kono, N.; Suzuki, R.; Furukawa, T. Physical Review A, Vol. 98, Issue 6 https://doi.org/10.1103/PhysRevA.98.063434	journal	December 2018
Infrared Action Spectroscopy of Low-Temperature Neutral Gas-Phase Molecules of Arbitrary Structure Yatsyna, Vasyl; Bakker, Daniël J.; Salén, Peter Physical Review Letters, Vol. 117, Issue 11 https://doi.org/10.1103/PhysRevLett.117.118101	journal	September 2016
Growth regimes of carbon clusters Tománek, David; Schluter, Michael Physical Review Letters, Vol. 67, Issue 17 https://doi.org/10.1103/PhysRevLett.67.2331	journal	October 1991
Fragmentation of Highly Excited Small Neutral Carbon Clusters Martinet, G.; Díaz-Tendero, S.; Chabot, M. Physical Review Letters, Vol. 93, Issue 6 https://doi.org/10.1103/PhysRevLett.93.063401	journal	August 2004
The C ₇ Cluster: Structure and Infrared Frequencies Heath, J. R.; Sheeks, R. A.; Cooksy, A. L. Science, Vol. 249, Issue 4971 https://doi.org/10.1126/science.11538081	journal	August 1990
Infrared Laser Spectroscopy of the Linear C ₁₃ Carbon Cluster Giesen, T. F.; Van Orden, A.; Hwang, H. J. Science, Vol. 265, Issue 5173 https://doi.org/10.1126/science.11539187	journal	August 1994
Diode-Laser Absorption Spectroscopy of Supersonic Carbon Cluster Beams: the ν ₃ Spectrum of C ₅ Heath, J. R.; Cooksy, A. L.; Gruebele, M. H. Science, Vol. 244, Issue 4904 https://doi.org/10.1126/science.11539817	journal	May 1989
Detection of C60 and C70 in a Young Planetary Nebula Cami, J.; Bernard-Salas, J.; Peeters, E. Science, Vol. 329, Issue 5996 https://doi.org/10.1126/science.1192035	journal	July 2010
Detection of C ₃ in the Circumstellar Shell of IRC+10216 Hinkle, Kenneth W.; Keady, John J.; Bernath, Peter F. Science, Vol. 241, Issue 4871 https://doi.org/10.1126/science.241.4871.1319	journal	September 1988
Detection of C5 in the Circumstellar Shell of IRC+10216 Bernath, P. F.; Hinkle, K. H.; Keady, J. J. Science, Vol. 244, Issue 4904 https://doi.org/10.1126/science.244.4904.562	journal	May 1989
Detection of two interstellar polycyclic aromatic hydrocarbons via spectral matched filtering McGuire, Brett A.; Loomis, Ryan A.; Burkhardt, Andrew M. Science, Vol. 371, Issue 6535 https://doi.org/10.1126/science.abb7535	journal	March 2021
Interstellar Polycyclic Aromatic Hydrocarbon Molecules Tielens, A. G. G. M. Annual Review of Astronomy and Astrophysics, Vol. 46, Issue 1 https://doi.org/10.1146/annurev.astro.46.060407.145211	journal	September 2008
2021 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules McGuire, Brett A. The Astrophysical Journal Supplement Series, Vol. 259, Issue 2 https://doi.org/10.3847/1538-4365/ac2a48	journal	March 2022
GOALS-JWST: Hidden Star Formation and Extended PAH Emission in the Luminous Infrared Galaxy VV 114 Evans, A. S.; Frayer, D. T.; Charmandaris, Vassilis The Astrophysical Journal Letters, Vol. 940, Issue 1 https://doi.org/10.3847/2041-8213/ac9971	journal	November 2022
GOALS-JWST: Tracing AGN Feedback on the Star-forming Interstellar Medium in NGC 7469 Lai 賴, Thomas S. -Y. 劭愉; Armus, Lee; U., Vivian The Astrophysical Journal Letters, Vol. 941, Issue 2 https://doi.org/10.3847/2041-8213/ac9ebf	journal	December 2022
GOALS-JWST: Mid-infrared Spectroscopy of the Nucleus of NGC 7469 Armus, L.; Lai, T.; U., V. The Astrophysical Journal Letters, Vol. 942, Issue 2 https://doi.org/10.3847/2041-8213/acac66	journal	January 2023

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