Eight New Carbon Chain Molecules

McCarthy, Michael; Travers, Michael J.; Kovács, A.; Gottlieb, C. A.; Thaddeus, P.

doi:10.1086/313050

Cited by 168 publications

(126 citation statements)

References 27 publications

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“…42,43 This large difference predicts a relatively large R-T effect (probably ε > 0.9) in the X 2 ground state of C 8 H as well. On the other hand, as a longer chain, C 8 H has more bending vibrational modes and a smaller vibrational energy for the CCC bending mode.…”

Section: Discussionmentioning

confidence: 98%

C6H and C6D: Electronic spectra and Renner-Teller analysis

Haddad¹,

Linnartz²,

Ubachs³

2011

The Journal of Chemical Physics

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vibronic hot bands are discussed here for the first time. The Renner-Teller effect for the lowest bending mode ν 11 is analyzed, yielding the Renner parameters ε 11 , vibrational frequencies ω 11 , and the true spin-orbit coupling constants A SO for both 2 electronic states. From the Renner-Teller analysis and spectral intensity measurements as a function of plasma jet temperature, the excitation energy of the lowest-lying 11 1 μ 2 vibronic state of C 6 H is determined to be (11.0 ± 0.8) cm −1 .

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Section: Discussionmentioning

confidence: 98%

C6H and C6D: Electronic spectra and Renner-Teller analysis

Haddad¹,

Linnartz²,

Ubachs³

2011

The Journal of Chemical Physics

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“…C 3 H − is non-linear and requires the following related equation from McCarthy et al (1997): Note. a 1 mdyn = 10 −8 N; n and m are exponents corresponding to the number of units from the type of modes present in the specific force constant.…”

Section: Discussionmentioning

confidence: 99%

HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 1¹A′l-C₃H^–: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION

Fortenberry

Huang

Crawford

et al. 2013

ApJ

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It has been shown that rotational lines observed in the Horsehead nebula photodissociation region (PDR) are probably not caused by l-C 3 H + , 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 1 A C 3 H − . 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 D eff for C 3 H − is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C 3 H + . As a result, 1 1 A C 3 H − is a more viable candidate for these observed rotational transitions. It has been previously proposed that at least C 6 H − may be present in the Horsehead nebular PDR formed by way of radiative attachment through its dipole-bound excited state. C 3 H − 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 C 3 H − could be greater than the rate of its destruction. C 3 H − would be the seventh confirmed interstellar anion detected within the past decade and the first C n H − molecular anion with an odd n.

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“…The J = 1-0 line of (o)-NH 3 -(o)-H 2 (Σ f ) near 39GHz was measured at very high spectral resolution (0.1 ppm) with a high-Q FTMW spectrometer, the details of which are available elsewhere (McCarthy et al 1997). The sample gas is injected through a pulsed pinhole nozzle into an evacuated Fabry-Perot resonator via a small hole in one of the cavity mirrors.…”

Section: Ftmw Experimentsmentioning

confidence: 99%

Rotational Spectroscopy of the NH₃–H₂ Molecular Complex

Surin

Tarabukin

Schlemmer

et al. 2017

ApJ

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We report the first high resolution spectroscopic study of the NH 3 -H 2 van der Waals molecular complex. Three different experimental techniques, a molecular beam Fourier transform microwave spectrometer, a millimeter-wave intracavity jet OROTRON spectrometer, and a submillimeter-wave jet spectrometer with multipass cell, were used to detect pure rotational transitions of NH 3 -H 2 in the wide frequency range from 39 to 230 GHz. Two nuclear spin species, (o)-NH 3 -(o)-H 2 and (p)-NH 3 -(o)-H 2 , have been assigned as carriers of the observed lines on the basis of accompanying rovibrational calculations performed using the ab initio intermolecular potential energy surface (PES) of Maret et al. The experimental spectra were compared with the theoretical bound state results, thus providing a critical test of the quality of the NH 3 -H 2 PES, which is a key issue for reliable computations of the collisional excitation and de-excitation of ammonia in the dense interstellar medium.

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Eight New Carbon Chain Molecules

Cited by 168 publications

References 27 publications

C6H and C6D: Electronic spectra and Renner-Teller analysis

C6H and C6D: Electronic spectra and Renner-Teller analysis

HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 1¹A′l-C₃H^–: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION

Rotational Spectroscopy of the NH₃–H₂ Molecular Complex

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Eight New Carbon Chain Molecules

Cited by 168 publications

References 27 publications

C6H and C6D: Electronic spectra and Renner-Teller analysis

C6H and C6D: Electronic spectra and Renner-Teller analysis

HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 11A′l-C3H–: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION

Rotational Spectroscopy of the NH3–H2 Molecular Complex

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HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 1¹A′l-C₃H^–: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION

Rotational Spectroscopy of the NH₃–H₂ Molecular Complex