Vacuum-ultraviolet irradiation of pyridine:acetylene ices relevant to Titan astrochemistry DOI
Larissa Lopes Cavalcante, Ellen Czaplinski, Helen E. Maynard‐Casely

et al.

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

VUV irradiation of pyridine:acetylene ices facilitate NPAH and precursors formation at 18 K 110 K, but not 90 K. These results emphasize the role solid-state phase stability in astrochemical processes relevant to Titan.

Language: Английский

Ionic fragmentation products of benzonitrile as important intermediates in the growth of polycyclic aromatic hydrocarbons DOI Creative Commons
Daniël B. Rap, Johanna G. M. Schrauwen, Britta Redlich

et al.

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(9), P. 7296 - 7307

Published: Jan. 1, 2024

In various astronomical environments, an interplay of bottom-up growth and top-down destruction processes takes place. To unravel this, ionic fragments benzonitrile are used as reactants for low-temperature ion-molecule reactions with acetylene.

Language: Английский

Citations

7
Mid-infrared spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration DOI Creative Commons
Julianna Palotás, Francis C. Daly, Thomas E. Douglas-Walker

et al.

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(5), P. 4111 - 4117

Published: Jan. 1, 2024

We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN + ) in mid-infrared region.

Language: Английский

Citations

5
Noncovalent Interactions Steer the Formation of Polycyclic Aromatic Hydrocarbons DOI Creative Commons
Daniël B. Rap, Johanna G. M. Schrauwen, Britta Redlich

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(33), P. 23022 - 23033

Published: Aug. 7, 2024

Aromatic molecules play an important role in the chemistry of astronomical environments such as cold interstellar medium (ISM) and (exo)planetary atmospheres. The observed abundances (polycyclic) aromatic hydrocarbons benzonitrile cyanonaphthalenes are, however, highly underestimated by astrochemical models. This demonstrates need for more experimentally verified reaction pathways. low-temperature ion–molecule benzonitrile•+ with acetylene is studied here using a multifaceted approach involving kinetics spectroscopic probing products. A fast radiative association via situ prereactive complex shows importance noncovalent interactions steering pathway during reactions. Product structures subsequent reactions are unambiguously identified infrared action spectroscopy reveal formation nitrogen-containing, linked bicyclic phenylpyridine•+ benzo-N-pentalene+ structures. results, contradicting earlier assumptions on product structure, demonstrate products emphasize possible environments.

Language: Английский

Citations

5
Termination of bottom-up interstellar aromatic ring formation at C6H5+ DOI
G. Stephen Kocheril, C. Zagorec-Marks, H. J. Lewandowski

et al.

Nature Astronomy, Journal Year: 2025, Volume and Issue: unknown

Published: March 13, 2025

Language: Английский

Citations

0
VUV Photoionization Induced Proton Transfer and Formation of New Covalent Bonds in Pyridine–Methanol Complex DOI

Bingbing Wu,

Yujian Li, Shanhui Xu

et al.

The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown

Published: March 20, 2025

Ion–molecule reactions are a crucial form of reaction in space that can reveal the formation mechanisms and evolutionary processes some complex interstellar molecules even prebiotic molecules. In this study, infrared spectra pyridine (Pyd) methanol (CH3OH) or deuterated (CH3OD) clusters were measured spectral range 2400–3800 cm–1 using an infrared-vacuum ultraviolet (IR-VUV) scheme. The geometric conformer, possible products, paths investigated utilizing quantum chemical calculations. By comparing experimental theoretically calculated spectra, we found only unique hydrogen-bonded structure exists within Pyd-CH3OH complex, characterized by linear hydrogen bond conformer between two constituent On other hand, interestingly, observed relatively weak NH vibrational peak at 3383 both cationic Pyd-CH3OD, suggesting proton transfer has occurred via least distinct pathways. These pathways likely involve from either OH group CH3 CH3OH to nitrogen atom Pyd, with being predominant route. Through theoretical calculations, also new C–C be formed moieties after reactions.

Language: Английский

Citations

0
Polycyclic (Anti)aromatic Hydrocarbons: Interstellar Formation and Spectroscopic Characterization of Biphenylene and Benzopentalene DOI
Athena R. Flint, Vincent J. Esposito, Ryan C. Fortenberry

et al.

Physical Chemistry Chemical Physics, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Formation of biphenylene, (C 6 H 4 ) 2 , and its isomer benzopentalene, C 12 8 may act as a consumption route for ortho -benzyne ( o -C in interstellar clouds such TMC-1.

Language: Английский

Citations

0
The AstroPAH 10 Years of Science Review DOI Creative Commons
Helgi Rafn Hróðmarsson, Isabel Aleman, Alessandra Candian

et al.

Space Science Reviews, Journal Year: 2025, Volume and Issue: 221(4)

Published: May 6, 2025

Language: Английский

Citations

0
Vibrational and Electronic Spectroscopy of 2-Cyanoindene Cations DOI Creative Commons
Thomas E. Douglas-Walker, Eleanor K. Ashworth, Mark H. Stockett

et al.

ACS Earth and Space Chemistry, Journal Year: 2024, Volume and Issue: 9(1), P. 134 - 145

Published: Dec. 16, 2024

2-Cyanoindene is one of the few specific aromatic or polycyclic hydrocarbon (PAH) molecules positively identified in Taurus molecular cloud-1 (TMC-1), a cold, dense cloud that considered nearest star-forming region to Earth. We report cryogenic mid-infrared (550-3200 cm-1) and visible (16,500-20,000 cm-1, over D 2 ← 0 electronic transition) spectra 2-cyanoindene radical cations (2CNI+), measured using messenger tagging (He Ne) photodissociation spectroscopy. The infrared reveal prominence anharmonic couplings, particularly fingerprint region. There strong CN-stretching mode at 2177 ± 1 cm-1 (4.593 μm), which may contribute broad plateau modes across astronomical band spectra. However, activity this suppressed dehydrogenated (closed shell) cation, [2CNI-H]+. IR spectral frequencies are modeled by calculations B3LYP/N07D level theory include resonance polyad matrices, demonstrating CN-stretch remains challenging describe with theory. transition 2CNI+, origin dominated, occurs 16,549 5 vacuum (6041.8 Å air). no correspondences reported diffuse interstellar bands.

Language: Английский

Citations

2
Electronic and vibrational spectroscopy of benzonitrile cation for astrochemical consideration DOI Creative Commons
Francis C. Daly, Thomas E. Douglas-Walker, Julianna Palotás

et al.

The Journal of Chemical Physics, Journal Year: 2024, Volume and Issue: 161(7)

Published: Aug. 15, 2024

The electronic and vibrational spectra of benzonitrile cation, C6H5CN+ (BZN+), in the gas phase at low temperatures are reported. Measurements were carried out using a cryogenic ion trapping apparatus. mid-infrared spectrum shows strong CN stretch 2130 ± 1 cm−1 (4.694 0.002 µm). is reported range 5040–5750 Å. This covers forbidden B2B2 ← X2B1 allowed C2B1 transitions. dominated by broad absorption feature wavelengths shorter than 5250 Å, with strongest located 5140 Experimental data complemented quantum chemical calculations density functional theory extended multi-configurational quasi-degenerate perturbation level. spectroscopic results discussed context astronomical observations infrared visible.

Language: Английский

Citations

2
Comprehensive survey of VUV induced dissociative photoionization of aniline: Role of H migration assisted isomerization DOI

Muthuamirthambal Selvaraj,

Arun Subramani, Karthick Ramanathan

et al.

Chemical Physics Letters, Journal Year: 2023, Volume and Issue: 829, P. 140716 - 140716

Published: Aug. 6, 2023

Language: Английский

Citations

4