AN OBSERVATIONAL INVESTIGATION OF THE IDENTITY OF B11244 (l–C3H+/C3H−)

@article{McGuire2013ANOI,
  title={AN OBSERVATIONAL INVESTIGATION OF THE IDENTITY OF B11244 (l–C3H+/C3H−)},
  author={Brett A. McGuire and P. Brandon Carroll and Pierre Gratier and Viviana V. Guzm'an and J{\'e}r{\^o}me Pety and {\`E}velyne Roueff and Maryvonne Gerin and Geoffrey A. Blake and Anthony J. Remijan},
  journal={The Astrophysical Journal},
  year={2013},
  volume={783}
}
Pety et al. have reported the detection of eight transitions of a closed-shell, linear molecule (B11244) in observations toward the Horsehead photodissociation region (PDR), which they attribute to the l–C3H+ cation. Recent high-level ab initio calculations have called this assignment into question; the anionic C3H− molecule has been suggested as a more likely candidate. Here, we examine observations of the Horsehead PDR, Sgr B2(N), TMC-1, and IRC+10216 in the context of both l–C3H+ and C3H… 

STRONG THEORETICAL SUPPORT FOR THE ASSIGNMENT OF B11244 TO l-C3H+

Highly accurate quantum chemical calculations beyond CCSD(T) have been used to study the molecular cation l-C3H+ which is the carrier of harmonically related radio lines observed in the Horsehead

The B11244 story: rovibrational calculations for C3H(+) and C3H(-) revisited.

It is shown that the previously used perturbational approach is not sufficient to reliably predict relevant spectroscopic properties of C3H(+) and that the force field of Huang et al. in combination with the numerically exact rovibrational treatment in fact supports the experimental identification of C 3H(+).

Theoretical Characterization of C3H and C5H and Their Anions

Highly correlated ab initio calculations are employed for the structural and spectroscopic characterization of small odd chains of type C2n+1H, considering neutral forms, cations, and giving special

QUANTUM CHEMICAL ROVIBRATIONAL DATA FOR THE INTERSTELLAR DETECTION OF c-C3H−

The anion chemistry of the interstellar medium (ISM) has almost exclusively been limited to linear hydrocarbons and cyanocarbons. Of the hydrocarbons, only the even n CnH− chains have been detected

A LABORATORY STUDY OF C3H+ AND THE C3H RADICAL IN THREE NEW VIBRATIONALLY EXCITED 2Σ STATES USING A PIN-HOLE NOZZLE DISCHARGE SOURCE

Rotational lines of the positive molecular ion C3H+ and of the neutral C3H radical in three new vibrationally excited states with 2Σ symmetry have been detected in a supersonic molecular beam in the

High-level theoretical spectroscopic parameters for three ions of astrochemical interest

The equilibrium geometry and rovibrational spectroscopic parameters of the three astrochemical ions l-C3H+, l-SiC2H+, and C3N− and some of their isotopologues are obtained from high-level quantum

A CSO search for l-C3H+: detection in the Orion Bar PDR

The results of a Caltech Submillimeter Observatory (CSO) search for l-C_3H^+, first detected by Pety et al. (2012) in observations toward the Horsehead photodissociation region (PDR), are presented.

Chemical complexity in the horsehead photodissociation region.

The first detection of the complex organic molecules HCOOH, CH2CO, CH3CHO and CH3CCH in a PDR is presented and suggests that photodesorption is an efficient mechanism to release complex molecules into the gas-phase in far-UV illuminated regions.

Interstellar Anions: The Role of Quantum Chemistry.

  • R. Fortenberry
  • Physics, Chemistry
    The journal of physical chemistry. A
  • 2015
The role that valence and dipole-bound excited states may play in the formation, detection, and lifetime of anions that may yet be observed in the ISM and how quantum chemistry enhances this understanding is reviewed.

Laboratory spectroscopy techniques to enable observations of interstellar ion chemistry

Molecular ions have long been considered key intermediates in the evolution of molecular complexity in the interstellar medium. However, owing to their reactivity and transient nature, ions have

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