AB-INITIO ROTATIONAL-CONSTANTS OF THE NITRILES DERIVED FROM CYANODIACETYLENE (HC4CN)

Citation
R. Moreno et al., AB-INITIO ROTATIONAL-CONSTANTS OF THE NITRILES DERIVED FROM CYANODIACETYLENE (HC4CN), The Astrophysical journal, 437(1), 1994, pp. 532-539
Citations number
32
Categorie Soggetti
Astronomy & Astrophysics
Journal title
ISSN journal
0004637X
Volume
437
Issue
1
Year of publication
1994
Part
1
Pages
532 - 539
Database
ISI
SICI code
0004-637X(1994)437:1<532:AROTND>2.0.ZU;2-5
Abstract
The rotational constants and the dipole moments of the 14 hydrogenated nitriles derived from cyanodiacetylene, its isomers, and those confor mers for which experimental data is available have been calculated wit h ab initio methods. The high dipole moment of these compounds, the pr esence of cyanodiacetylene in different regions of space, as well as t he great abundance of hydrogen in the dense clouds could lead to the d etection of the species being studied here in the interstellar medium.