F. Pauzat, Y. Ellinger
Planetary and Space Science
Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combination of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2II ground states with large dipole moments and are strong candidates for obser-vation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2II ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Σ ground state, and our best computations so far indicate that this is not the case.
F. Pauzat, Y. Ellinger
Planetary and Space Science
Y. Ellinger, F. Pauzat, et al.
The Journal of Chemical Physics
Y. Ellinger, F. Pauzat, et al.
Journal of Molecular Structure: THEOCHEM
Eric Herbst, D.J. DeFrees, et al.
The Journal of Chemical Physics