C5D
Pentadiynylidyne, X 2Πr, deuterated isotopolog
Species tag 062522
Version1*
Date of EntryMay 2015
ContributorH. S. P. Müller

The transition frequencies have been reported by
(1) T. Hirota, H. Ozawa, Y. Sekimoto, and S. Yamamoto, 1995, J. Mol. Spectrosc. 174, 196.
Some spectroscopic parameter have been guesed. The fit has been carried out employing parameters and quantum numbers of Hund's case (b), as usual. Concerning Hund's case (a) quantum numbers, levels with J + 0.5 = N correlate with 2Π1/2 and levels with J – 0.5 = N correlate with 2Π3/2 for J ≤ 11.5; the correlation is reversed for J ≥ 12.5.
Predictions above 400 GHz should be viewed with caution.
Hyperfine structure related to the D nucleus may be resolvable at low frequencies. Therefore, predictions with hyperfine splitting are given for the 2Π1/2 ladder up to 61 GHz.
The D spin-multiplicity was considered in all calculations of the partition function.
The dipole moment was assumed to agree with that of the main species, see e061505.cat.

Lines Listed571
Frequency / GHz< 651
Max. J144
log STR0-7.5
log STR1-4.3
Isotope Corr.-3.832
Egy / (cm–1)0.0
 µa / D4.88
 µb / D 
 µc / D 
 A 
 B2262.129
 C 
 Q(300.0)31369.8985
 Q(225.0)23109.7916
 Q(150.0)14881.9322
 Q(75.00)6766.3265
 Q(37.50)2903.9434
 Q(18.75)1207.2241
 Q(9.375)537.6114
 Q(5.000)282.5267
 Q(2.725)156.1566
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder