Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low–lying states of the CO+ cation

Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

doi:10.1016/j.jqsrt.2018.02.008

Cited by 16 publications

(8 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Schematic representation of the potential energy curves of the CO + ion in its electronic ground state X 2 + (lower curve) and first excited state A 2 + (upper curve) with CO + (X 2 + , ν = 0) as the point of reference. The data points are taken from Wei et al [39] and interpolation is done utilising cubic splines. The vibrational levels are calculated using the spectroscopic parameters from reference [39].…”

Section: Figurementioning

confidence: 99%

“…The data points are taken from Wei et al [39] and interpolation is done utilising cubic splines. The vibrational levels are calculated using the spectroscopic parameters from reference [39]. Additionally, the energy levels of Ar + in its two spin orbit states 2 P 3/2 and 2 P 1/2 are depicted together with vertical arrows illustrating the two collision energies 0.55 and 0.74 eV.…”

Section: Figurementioning

confidence: 99%

See 1 more Smart Citation

Charge transfer dynamics in Ar⁺ + CO

et al. 2020

View full text Add to dashboard Cite

Differential cross sections for the charge transfer reaction between Ar + and CO have been measured using three-dimensional velocity map imaging in a crossed beam setup at the two relative collision energies 0.55 and 0.74 eV. We find dominant forward scattering with CO + product ions predominantly in the vibrational levels ν = 6,7 of the electronic ground state X 2 + . This is indicative of a direct resonant mechanism for the two argon spin-orbit states. At both collision energies also an isotropic distribution with product ions exhibiting high internal excitation is observed. This is more pronounced at the higher collision energy, where the first electronically excited state A 2 + becomes accessible. We conclude that the A-state is partially populated by the product ions at 0.74 eV collision energy and suggest that the isotropic distribution stems from the formation of a charge-transfer complex, in concurrence with previously performed studies.

show abstract

Section: Figurementioning

confidence: 99%

Section: Figurementioning

confidence: 99%

Charge transfer dynamics in Ar⁺ + CO

et al. 2020

View full text Add to dashboard Cite

show abstract

“…The current state of knowledge is listed in Table 4. Some of the most complete examinations for the spectral classification of CO + are from observations of cometary ion tails (Vujisić & Pesić 1988;Haridass et al 2000;Kepa et al 2004) and from quantum chemical explorations (Lavendy et al 1993;Xing et al 2018). A very recent laboratory-based Fourier-transform emission spectral examination of this simple molecule has revealed an extensive trove of rovibronic data for the A 2 Π i → X 2 Σ + transition (Hakalla et al 2019).…”

Section: Co +mentioning

confidence: 99%

“…However, as explained in our discussion above, significant work has been done on the spectrum of CO + after the Magnani & A'Hearn (1986) paper was published (see Table 4 for recommended constants and frequencies). These recent studies, such as (Xing et al 2018;Hakalla et al 2019), have increased the spectral resolution as well as the accuracy of known transitions. As such, the fluorescence model of CO + would benefit from including these spectral models.…”

Section: Co +mentioning

confidence: 99%

Knowledge Gaps in the Cometary Spectra of Oxygen-Bearing Molecular Cations

Fortenberry,

Bodewits,

Pierce

2021

Preprint

View full text Add to dashboard Cite

Molecular cations are present in various astronomical environments, most notably in cometary atmospheres and tails where sunlight produces exceptionally bright near-UV to visible transitions. Such cations typically have longer-wavelength and brighter electronic emission than their corresponding neutrals. A robust understanding of their near-UV to visible properties would allow these cations to be used as tools for probing the local plasma environments or as tracers of neutral gas in cometary environments. However, full spectral models are not possible for characterization of small, oxygen containing molecular cations given the body of molecular data currently available. The five simplest such species (H 2 O + , CO + 2 , CO + , OH + , and O + 2 ) are well characterized in some spectral regions but are lacking robust reference data in others. Such knowledge gaps hinder fully quantitative models of cometary spectra, specifically, hindering accurate estimates of physical-chemical processes originating with the most common molecules in comets. Herein the existing spectral data are collected for these molecules and highlight the places where future work is needed, specifically where the lack of such data would greatly enhance the understanding of cometary evolution.

show abstract

“…Figure c exhibits the electronic-state energy levels that may be concerned in the DCE reaction at 7.46 eV. The dissociation by stretching the CO + bond could occur at the repulsive region of the C 2 Δ or D 2 Π-state potential energy curve of CO + (ref ). Similarly, the repulsive region of the X 2 Π-state potential energy curve of ArC + may lead to a quick dissociation by stretching the Ar–C + bond.…”

mentioning

confidence: 99%

Collision-Energy Dependent Stereodynamics of Dissociative Charge Exchange Reaction between Ar⁺ and CO

Zhi

Xie

et al. 2021

J. Phys. Chem. Lett.

View full text Add to dashboard Cite

Long-distance charge−dipole attraction between atomic ion and randomly oriented polar molecule potentially makes the molecular orientation, which profoundly influences the products' kinetics of collisional reaction. Using the three-dimensional ion velocity map imaging technique, here we report a collision-energy dependent stereodynamics of dissociative charge exchange reaction Ar + + CO → Ar + O + C + in a range of 7.46−9.97 eV. At the lowest collision energy, the most C + products are forward-scattered and are along the collision axis and are attributed to three different dissociation channels including the predominant one experiencing the rotating intermediate ArC + . At the high collision energies, the remarkably diffusive distribution of C + arises from the prompt dissociation of the rebounded CO + . The different dynamic processes arising from the nearly collinear collision are elaborated explicitly on the basis of the data analyses using the Doppler kinetics models.

show abstract

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low–lying states of the CO+ cation

Cited by 16 publications

References 55 publications

Charge transfer dynamics in Ar⁺ + CO

Charge transfer dynamics in Ar⁺ + CO

Knowledge Gaps in the Cometary Spectra of Oxygen-Bearing Molecular Cations

Collision-Energy Dependent Stereodynamics of Dissociative Charge Exchange Reaction between Ar⁺ and CO

Contact Info

Product

Resources

About

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low–lying states of the CO+ cation

Cited by 16 publications

References 55 publications

Charge transfer dynamics in Ar+ + CO

Charge transfer dynamics in Ar+ + CO

Knowledge Gaps in the Cometary Spectra of Oxygen-Bearing Molecular Cations

Collision-Energy Dependent Stereodynamics of Dissociative Charge Exchange Reaction between Ar+ and CO

Contact Info

Product

Resources

About

Charge transfer dynamics in Ar⁺ + CO

Charge transfer dynamics in Ar⁺ + CO

Collision-Energy Dependent Stereodynamics of Dissociative Charge Exchange Reaction between Ar⁺ and CO