Influence of a Supercritical Electric Dipole Moment on the Photodetachment of 
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Simpson, Malcolm; Nötzold, Markus; Michaelsen, Tim; Wild, R. J.; Gianturco, F. A.; Wester, Roland

doi:10.1103/physrevlett.127.043001

Cited by 11 publications

(15 citation statements)

References 46 publications

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“…The spacing between successive levels in both cases follows the usual law for a linear molecule with a rotational constant of C 3 N -, which is very close to the one of C 3 N (0.16504 cm −1 [26]). The J = 0 bound-state energy obtained with the pure chargedipole potential V dip is quite large when compared to the experimental value (−2 ± 1 cm −1 ) of Wester [10]. The corresponding value for V ai is closer to the experiment but still three times larger.…”

supporting

confidence: 59%

“…Between 1 and 100 cm −1 , it increases rapidly as, approximately, the square of the collision energy due to the ω 3 α /k 2 e factor in Eq. (10). Above 100 cm −1 , the cross section oscillates due to the same behaviour of the transition dipole moment in Eq.…”

mentioning

confidence: 75%

“…At very small energies, below 1 cm −1 , the cross section is inversely proportional to the collision energy, as expected from Eq. (10). Between 1 and 100 cm −1 , it increases rapidly as, approximately, the square of the collision energy due to the ω 3 α /k 2 e factor in Eq.…”

mentioning

confidence: 91%

“…However, previous calculations [6][7][8][9] have shown that REA rates are too low to explain the observed abundance of CN -, C 3 N -, and C 5 N -. It was then suggested that the REA mechanism could take place via a "doorway" weakly bound dipole state (DBS) [10], first described by Fermi and Teller in 1947 [11]. For a point dipole interacting with a charge, the existence of an infinite number of DBSs was predicted for dipole values larger than a critical value of approximately 0.65 a.u.…”

mentioning

confidence: 99%

“…Above 100 cm −1 , the cross section oscillates due to the same behaviour of the transition dipole moment in Eq. (10), which varies due to the change in position of nodes in the initial continuum wave functions with the energy.…”

mentioning

confidence: 99%

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An investigation of the radiative electron attachment of C₃N through dipole-bound states

Forer¹,

Stoecklin²,

Kokoouline³

2022

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The role of a large dipole moment in rotating neutral molecules interacting with low-energy electrons is studied using an accurate ab initio approach accounting for electronic and rotational degrees of freedom. It is found that theory can reproduce weakly-bound (dipole-bound) states observed in a recent photodetachment experiment with C 3 N -[Phys. Rev. Lett. 127, 043001 (2021)]. Using a similar level of theory, the cross section for radiative electron attachment to the C 3 N molecule, forming the dipole-bound states, was determined. The obtained cross-section is too small to explain the formation of C 3 Nin the interstellar medium, suggesting that it is likely formed by a different process.

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supporting

confidence: 59%

mentioning

confidence: 75%

mentioning

confidence: 91%

mentioning

confidence: 99%

mentioning

confidence: 99%

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An investigation of the radiative electron attachment of C₃N through dipole-bound states

Forer¹,

Stoecklin²,

Kokoouline³

2022

Preprint

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Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C₅N⁻ Anion Detected in Interstellar Space

et al. 2023

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We present quantum structure calculations aimed at demon‐ strating the possible existence of dipole‐bound states (DBS) for the anion C5N−, a species already detected in the Inter‐ stellar medium (ISM). The positive demonstration of DBS existence using ab initio studies is an important step to‐ ward elucidating possible pathways for the formation of the more tightly bound valence bound states (VBS) in envi‐ ronments where free electrons from starlight ionization pro‐ cesses are known to be available to interact with the radical partner of the title molecule. Our current calculations show that such DBS states can exist in C5N−, in agreement with what we had previously found for the smaller cyanopolyyne in the series: the C3N− anion. The predicted binding en‐ ergies which we found are 3 and 9 cm−1 for the 1Σ+ and 3Σ+ DBS, respectively. Furthermore, equilibrium geome‐ tries, equilibrium rotational constants, electric dipole mo‐ ments, and relative electronic energies were determined for the ground anion X1Σ+ and the two lowest electronic states of the parent neutral, X2Σ+ and A2Π.

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Vibrational Predissociation Spectra of C₂N⁻ and C₃N⁻: Bending and Stretching Vibrations

et al. 2023

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We present infrared predissociation spectra of C2N−(H2) and C 3N−(H2) in the 300–1850 cm−1 range. Measurements were performed using the FELion cryogenic ion trap end user station at the Free Electron Lasers for Infrared eXperiments (FELIX) laboratory. For C2N−(H2), we detected the CCN bending and CC−N stretching vibrations. For the C3N−(H2) system, we detected the CCN bending, the CC−CN stretching, and multiple overtones and/or combination bands. The assignment and interpretation of the presented experimental spectra is validated by calculations of anharmonic spectra within the vibrational configuration interaction (VCI) approach, based on potential energy surfaces calculated at explicitly correlated coupled cluster theory (CCSD(T)‐F12/cc‐pVTZ−F12). The H2 tag acts as an innocent spectator, not significantly affecting the C2,3N− bending and stretching mode positions. The recorded infrared predissociation spectra can thus be used as a proxy for the vibrational spectra of the bare anions.

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Influence of a Supercritical Electric Dipole Moment on the Photodetachment of C3N−

Cited by 11 publications

References 46 publications

An investigation of the radiative electron attachment of C₃N through dipole-bound states

An investigation of the radiative electron attachment of C₃N through dipole-bound states

Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C₅N⁻ Anion Detected in Interstellar Space

Vibrational Predissociation Spectra of C₂N⁻ and C₃N⁻: Bending and Stretching Vibrations

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Influence of a Supercritical Electric Dipole Moment on the Photodetachment of C3N−

Cited by 11 publications

References 46 publications

An investigation of the radiative electron attachment of C3N through dipole-bound states

An investigation of the radiative electron attachment of C3N through dipole-bound states

Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N− Anion Detected in Interstellar Space

Vibrational Predissociation Spectra of C2N− and C3N−: Bending and Stretching Vibrations

Contact Info

Product

Resources

About

An investigation of the radiative electron attachment of C₃N through dipole-bound states

An investigation of the radiative electron attachment of C₃N through dipole-bound states

Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C₅N⁻ Anion Detected in Interstellar Space

Vibrational Predissociation Spectra of C₂N⁻ and C₃N⁻: Bending and Stretching Vibrations