NDLI: Accurate rotational constants for linear interstellar carbon chains: achieving experimental accuracy

Content Provider	Springer Nature Link
Author	Etim, Emmanuel E. Arunan, Elangannan
Copyright Year	2016
Abstract	Linear carbon chain molecular species remain the dominant theme in interstellar chemistry. Their continuous astronomical observation depends on the availability of accurate spectroscopic parameters. Accurate rotational constants are reported for hundreds of molecular species of astrophysical, spectroscopy and chemical interests from the different linear carbon chains; $\mathrm{C}_{{n}}\mathrm{H}$ , $\mathrm{C}_{{n}}\mathrm{H}^{-}$ , $\mathrm{C}_{{n}}\mathrm{N}$ , $\mathrm{C}_{{n}}\mathrm{N}^{-}$ , $\mathrm{C}_{{n}}\mathrm{O}$ , $\mathrm{C}_{{n}}\mathrm{S}$ , $\mathrm{HC}_{{n}}\mathrm{S}$ , $\mathrm{C}_{{n}}\mathrm{Si}$ , $\mathrm{CH}_{3}(\mathrm{CC})_{{n}}\mathrm{H}$ , $\mathrm{HC}_{{n}}\mathrm{N}$ , $\mathrm{DC}_{2{n}+1}\mathrm{N}$ , $\mathrm{HC}_{2{n}}\mathrm{NC}$ , and $\mathrm{CH}_{3}(\mathrm{C}\equiv\mathrm{C})_{{n}}\mathrm{CN}$ using three to four moments of inertia calculated from the experimental rotational constants coupled with those obtained from the optimized geometries at the Hartree Fock level. The calculated rotational constants are obtained from the corrected moments of inertia at the Hartfree Fock geometries. The calculated rotational constants show accuracy of few kHz below irrespective of the chain length and terminating groups. The obtained accuracy of few kHz places these rotational constants as excellent tools for both astronomical and laboratory detection of these molecular species of astrophysical interest. From the numerous unidentified lines from different astronomical surveys, transitions corresponding to known and new linear carbon chains could be found using these rotational constants. The astrophysical, spectroscopic and chemical implications of these results are discussed.
Starting Page	1
Ending Page	25
Page Count	25
File Format	PDF
ISSN	0004640X
Journal	Astrophysics and Space Science
Volume Number	362
Issue Number	1
e-ISSN	1572946X
Language	English
Publisher	Springer Netherlands
Publisher Date	2016-12-02
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Astrochemistry Molecules Carbon chains Spectroscopy Rotational constants Astrophysics and Astroparticles Astronomy, Observations and Techniques Cosmology Space Sciences (including Extraterrestrial Physics, Space Exploration and Astronautics) Astrobiology
Content Type	Text
Resource Type	Article
Subject	Astronomy and Astrophysics Space and Planetary Science

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