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A priori predictions of the rotational constants for HC13N, HC15N, and C5O

✍ Scribed by D.J. Defrees; A.D. McLean

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
426 KB
Volume
158
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio molecular orbital theory is used to estimate the rotational constant for several carbon-chain molecules that are candidates for discovery in interstellar space. These estimated rotational constants can be used in laboratory or astronomical searches for the molecules. The rotatlonal constant for HCIJN is estimated to be 0.1073 kO.0002 GHz and its dipolc moment 5.4 D. The rotational constant for HClsN is estimated to be 0.0724 GHz,with a somewhat larger uncertainty. The rotational constant ofC@ is estimated to be 1.360 I!I 2% GHz and its dipole moment 4.4. D.

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