Titan's spectroscopic database

 

Positions and intensities of the fundamental bands of (DC5N)

Mode
Vibration
Position (cm-1)
Position (cm-1)
Relative Intensities
This work
Theoretical Results
This work (Uncertainty=10%)
Theoretical Results*
n1
C-D str.
(R) 2603
(P) 2595
2617b
0.86
0.66 (124.5)b
2n5
overtone
(R) 2325
(P) 2317
2251b
0.3
0.40 (75)b
n2
CN str.
(R) 2255
(P) 2246
2308b
1
1 (188.5)b
n3
str.
(R) 2173.5
(P) 2164
2173b
0.35
0.23 (43.5)b
n4
str.
(R) 1964
(P) 1955
1964b
0.17
0.18 (34)b
2n7
overtone
(R) 1010
(P) 1001
-
0.3
-
n6
str.
(R) 604
(P) 595
595b
0.11
0.006 (1.1)b
n7
bend.
508
516.9b
1.05
0.94
(168.5)a
n8
bend.
500
505.1b
(9.5 a)

 

 

References :

Yves Bénilan, Antoine Jolly, Yann Trolez, François Raulin, and Jean-Claude Guillemin : Infrared band intensities of cyanobutadiyne (HC5N) between 400 and 4000 cm-1
Journal of Molecular Spectroscopy, in press

a S. Deguchi, M. Uyemura, Astrophys. J. 285 (1984) 153-157 and M. Uyemura, Bull. Chem. Soc. Jpn. 59 (1986) 1303-1309.
b P. Botschwina, A. Heyl, M. Oswald, T. Hirano, Spectrochim. Acta Part A 53 (1997) 1386-1425.

 

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