Rotational spectra of CF+and13CF+: accurate rest frequencies and spectroscopic parameters

Cazzoli, G.; Cludi, L.; Puzzarini, Cristina; Gauß, Jürgen

doi:10.1051/0004-6361/200913057

Cited by 13 publications

(27 citation statements)

References 29 publications

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“…They applied a high-level quantum chemical calculation to determine the hyperfine splitting and pointed out a constant of 7.6 × 10 −6 cm −1 as a value for the fluorine spin rotation (Guzmán et al 2012b). This low computed value of the spin rotation constant confirmed the nonobservations of the hyperfine splitting in the experiments performed by Cazzoli et al (2010).…”

Section: Introductionsupporting

confidence: 81%

“…The C-containing species were also demonstrated to be of great astrophysical significance because they may provide information on the 13 C/ 12 C ratio. To improve the knowledge on the fluorine interstellar chemistry, Cazzoli et al (2010) recorded accurate rest frequencies for future radioastronomical observations. In their studies, they improved the accuracy of the CF + spectroscopic parameters available in the literature.…”

Section: Introductionmentioning

confidence: 99%

“…From a spectroscopic point of view, the most recent studies of CF + did not consider the hyperfine structure because the experiments were not able to resolve the hyperfine components (Cazzoli et al 2010). Recently, Guzmán et al (2012a) detected the J = 1-0 and J = 2-1 rotational lines of CF + with a high signal-to-noise ratio toward the PDR and core positions in the Horsehead.…”

Section: Introductionmentioning

confidence: 99%

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Induced rotational excitation of the fluoromethylidynium¹²CF⁺and¹³CF⁺through collision with helium

Ajili

Hammami

2013

A&A

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Aims. The present paper focuses on the calculation of the collision rate coefficients for rotational excitation of the 12 CF + and its isotopologue 13 CF + by He for temperature ranging from 10 to 300 K. Methods. A two-dimentional (2D) potential energy surface (PES) of the CF + (X 1 Σ + )-He( 1 S) system is calculated at the ab initio coupled cluster with single, double, and perturbative triple excitation level of theory with the aug-cc-pV5Z basis set. The basis set superposition errors were taken into account in our computation. Dynamical calculations of state-to-state rotational integral cross sections of the CF + by collision with He were performed using the close-coupling method. Results. The PES presents a global minimum of ∼212 cm −1 below the CF + -He dissociation limit. Collisional cross sections among the first 11 rotational levels of CF + were calculated for total energies up to 1500 cm −1 . Downward rate coefficients between the rotational levels were calculated for temperature ranging from 10 to 300 K. A propensity toward an even parity of ∆J is observed.

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Section: Introductionsupporting

confidence: 81%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Induced rotational excitation of the fluoromethylidynium¹²CF⁺and¹³CF⁺through collision with helium

Ajili

Hammami

2013

A&A

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“…Second, no experimental or theoretical investigation of the hyperfine structure of CF + was available. The most recent spectroscopic study of CF + did not consider the hyperfine structure because the experiments were not able to resolve the hyperfine components (Cazzoli et al 2010). High-level quantum chemical calculations reported in the following now allow us to determine the hyperfine splitting.…”

Section: Introductionmentioning

confidence: 99%

The hyperfine structure in the rotational spectrum of CF⁺

Guzmán

Roueff

Gauß

et al. 2012

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Context. CF+ has recently been detected in the Horsehead and Orion Bar photo-dissociation regions. The J = 1−0 line in the Horsehead is double-peaked in contrast to other millimeter lines. The origin of this double-peak profile may be kinematic or spectroscopic. Aims. We investigate the effect of hyperfine interactions due to the fluorine nucleus in CF + on the rotational transitions. Methods. We compute the fluorine spin rotation constant of CF + using high-level quantum chemical methods and determine the relative positions and intensities of each hyperfine component. This information is used to fit the theoretical hyperfine components to the observed CF + line profiles, thereby employing the hyperfine fitting method in GILDAS. Results. The fluorine spin rotation constant of CF + is 229.2 kHz. This way, the double-peaked CF + line profiles are well fitted by the hyperfine components predicted by the calculations. The unusually large hyperfine splitting of the CF + line therefore explains the shape of the lines detected in the Horsehead nebula, without invoking intricate kinematics in the UV-illuminated gas.

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“…Numbers in parentheses represent 1σ uncertainties. The two hfs components from this work were fitted together with 7 rotational lines from Cazzoli et al (2010) and Cazzoli et al (2012) (see Table 3). (a) Fixed to the experimental value by Gruebele et al (1986) .…”

Section: Discussionmentioning

confidence: 99%

Laboratory rotational ground state transitions of NH₃D⁺and CF⁺

Stoffels

Kluge

Schlemmer

et al. 2016

A&A

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Aims. This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH 3 D + and CF + . Methods. Spectra in the millimetre-wave band were recorded by the method of rotational state-selective attachment of He atoms to the molecular ions stored and cooled in a cryogenic ion trap held at 4 K. The lowest rotational transition in the A state (ortho state) of NH 3 D + (J K = 1 0 −0 0 ), and the two hyperfine components of the ground state transition of CF + (J = 1−0) were measured with a relative precision better than 10 −7 . Results. For both target ions, the experimental transition frequencies agree with recent observations of the same lines in different astronomical environments. In the case of NH 3 D + the high-accuracy laboratory measurements lend support to its tentative identification in the interstellar medium. For CF + the experimentally determined hyperfine splitting confirms previous quantum-chemical calculations and the intrinsic spectroscopic nature of a double-peaked line profile observed in the J = 1−0 transition towards the Horsehead photon-dominated region (PDR).

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Rotational spectra of CF⁺and¹³CF⁺: accurate rest frequencies and spectroscopic parameters

Cited by 13 publications

References 29 publications

Induced rotational excitation of the fluoromethylidynium¹²CF⁺and¹³CF⁺through collision with helium

Induced rotational excitation of the fluoromethylidynium¹²CF⁺and¹³CF⁺through collision with helium

The hyperfine structure in the rotational spectrum of CF⁺

Laboratory rotational ground state transitions of NH₃D⁺and CF⁺

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Rotational spectra of CF+and13CF+: accurate rest frequencies and spectroscopic parameters

Cited by 13 publications

References 29 publications

Induced rotational excitation of the fluoromethylidynium12CF+and13CF+through collision with helium

Induced rotational excitation of the fluoromethylidynium12CF+and13CF+through collision with helium

The hyperfine structure in the rotational spectrum of CF+

Laboratory rotational ground state transitions of NH3D+and CF+

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Rotational spectra of CF⁺and¹³CF⁺: accurate rest frequencies and spectroscopic parameters

Induced rotational excitation of the fluoromethylidynium¹²CF⁺and¹³CF⁺through collision with helium

Induced rotational excitation of the fluoromethylidynium¹²CF⁺and¹³CF⁺through collision with helium

The hyperfine structure in the rotational spectrum of CF⁺

Laboratory rotational ground state transitions of NH₃D⁺and CF⁺