Interstellar Isomers: The Importance of Bonding Energy Differences

@article{Remijan2005InterstellarIT,
  title={Interstellar Isomers: The Importance of Bonding Energy Differences},
  author={Anthony J. Remijan and Jan M. Hollis and Francis J. Lovas and David F Plusquellic and Phil R. Jewell},
  journal={The Astrophysical Journal},
  year={2005},
  volume={632},
  pages={333 - 339}
}
We present strong detections of methyl cyanide (CH3CN), vinyl cyanide (CH2CHCN), ethyl cyanide (CH3CH2CN), and cyanodiacetylene (HC4CN) molecules with the Green Bank Telescope (GBT) toward the Sgr B2(N) molecular cloud. Attempts to detect the corresponding isocyanide isomers were only successful in the case of methyl isocyanide (CH3NC) for its JK = 10-00 transition, which is the first interstellar report of this line. To determine the spatial distribution of CH3NC, we used archival Berkeley… 

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

Interstellar cyanoallene (CH2CCHCN) has been detected with the 100 m Green Bank Telescope (GBT) toward the dark Taurus molecular cloud (TMC-1) by means of the 414-313, 404-303, 515-414, and 505-404

Characterization of Azirine and Its Structural Isomers.

The 2 H-azirine, an imine isomer, was found to be the lowest in energy among the cyclic isomers, followed by the carbene isomer ( b), and last the 1 H-azerine, a enamine isomers ( c), which have a C s symmetry equilibrium structure.

Gas-phase infrared spectra of three compounds of astrochemical interest: vinyl, allenyl, and propargyl isocyanides.

The results improve the knowledge of these under-investigated compounds and pave the way for other physicochemical studies on functionalized isocyanides.

Structural and spectroscopic characterization of methyl isocyanate, methyl cyanate, methyl fulminate, and acetonitrile N-oxide using highly correlated ab initio methods.

Divergences between theoretical rotational constants and previous parameters fitted from observed lines for methyl isocyanate are discussed on the basis of the relevant rovibrational interaction and the quasi-linearity of the molecular skeleton.

Structural and spectroscopic characterization of various isotopologues of 2-hydroxyacetonitrile using highly correlated ab initio methods

Abstract Various isotopologues of 2-hydroxyacetonitrile (OHCH2CN), a detectable astrophysical molecule, are characterized using explicitly correlated coupled cluster theory (CCSD(T)-F12/AVTZ-F12).

Single photon ionization of methyl isocyanide and the subsequent unimolecular decomposition of its cation: experiment and theory.

A combined theoretical and experimental investigation of the single photon ionization of gas phase methyl isocyanide and its fragmentation pathways is presented, showing that in addition to the obvious bond breakings, some of the corresponding ionic fragments result from rearrangements - upon photon absorption - either before or after electron ejection.

The ALMA-PILS survey: first detection of methyl isocyanide (CH3NC) in a solar-type protostar

Context. Methyl isocyanide (CH3NC) is the isocyanide with the largest number of atoms confirmed in the interstellar medium (ISM), but it is not an abundant molecule, having only been detected towards

Density Functional Exploration of C4H3N Isomers.

For a broad range of C4H3N isomers, density functional calculations of molecular parameters including the energetics, geometries, rotational constants, electric dipole moments, polarizabilities, vibrational IR frequencies, IR absorption intensities, and Raman activities are described.

Detection of Ketenimine (CH2CNH) in Sagittarius B2(N) Hot Cores

Ketenimine (CH2CNH) has been detected in absorption toward the star-forming region Sagittarius B2(N) with the 100 m Green Bank Telescope by means of three rotational transitions: 716-808 at 41.5 GHz,

Interstellar isomeric species: Energy, stability and abundance relationship

Abstract.Accurate enthalpies of formation are reported for known and potential interstellar isomeric species using high-level ab initio quantum-chemical calculations. A total of 130 molecules
...

References

SHOWING 1-10 OF 47 REFERENCES

High-Resolution Observations of Methyl Cyanide (CH3CN) toward the Hot Core Regions W51e1/e2

We have detected strong methyl cyanide (CH3CN) emission lines from the hot core regions W51e1 and W51e2, using the BIMA Array. This is the first survey of CH3CN toward W51 to utilize both 3 mm (J =

Green Bank Telescope Detection of New Interstellar Aldehydes: Propenal and Propanal

The new interstellar molecules propenal (CH2CHCHO) and propanal (CH3CH2CHO) have been detected largely in absorption toward the star-forming region Sagittarius B2(N) by means of rotational

Theoretical investigation of the interstellar CH3NC/CH3CN ratio.

The ratio of the formation rates of the protonated precursor ions-- CH3NCH+ and CH3CNH+ --synthesized via the radiative association reaction between CH3+ and HCN is calculated, which is thought to be the dominant formation process of the two isomeric ions.

Microwave Spectra of Molecules of Astrophysical Interest. XXI. Ethanol (C2H5OH) and Propionitrile (C2H5CN)

The microwave spectra of ethanol (C2H5OH) and propionitrile (ethyl cyanide, C2H5CN) are critically reviewed and supplemented with spectral frequency calculations which include rotational and

Kinematics of the Sagittarius B2(N-LMH) Molecular Core

Ethyl cyanide (CH3CH2CN) emission and absorption have been imaged with the Very Large Array toward Sagittarius B2(N-LMH) by means of the 515-414 rotational transition at 43.5 GHz (λ ~ 7 mm). The 1.″5

Subarcsecond Resolution Observations of Sagittarius B2 at 85 GHz

We present 3 mm continuum and spectral line observations of vinyl cyanide (C2H3CN) and ethyl cyanide (C2H5CN) toward the Sgr B2 region carried out by the BIMA Array at subarcsecond resolution. These

The isocyanopolyynes HC4NC and HC6NC: Microwave spectra and ab initio calculations

Rotational spectra of HC4NC and HC6NC, linear molecules of interest to interstellar cloud chemistry, were recorded by Fourier transform microwave spectroscopy, and the ground state rotational

Widespread acetaldehyde near the galactic centre

We present Giant Meterwave Radio Telescope images of the 1065 MHz emission from the 1(11) --> 1(10) rotational transition of acetaldehyde ( CH3CHO) in the molecular cloud complex Sgr B2. Our