| Titan's spectroscopic database |
Positions and intensities of the fundamental bands of cyanobutadiyne (HC5N)
|
Mode
|
Vibration
|
Position
(cm-1)
|
|
Absolute
Intensities (cm-2.atm-1)
at 296 K
|
|
|
| |
|
This
work |
Theoretical
Results |
Benilan
et al. (2007) |
|
Theoretical
Results |
| |
|
|
|
Value |
Error |
|
| n1/n3+n5
|
C-H
str.
|
(R)
3333
(P)
3322 |
3349b
|
298
|
5.7
|
362b
|
| 2n5
|
overtone
|
(R)
2339
(P)
2330 |
2262b
|
31.5
|
2.4
|
121b
|
| n2
|
CN
str.
|
(R)
2257
(P)
2248 |
2319b
|
140
|
4
|
138b
|
| n3
|
str.
|
(R)
2192.5
(P)
2182.5 |
2198b
|
31.9
|
0.2
|
22.5b
|
| n4 |
str. |
Not
detected |
2067b |
- |
- |
0.33b |
| 2n7
|
overtone.
|
(R)
1276
(P)
1267 |
-
|
90.7
|
1.8
|
-
|
| n5 |
str. |
Not
detected |
1147b |
- |
- |
0.41b |
| n9+n10
|
combin.
|
(R)
718
(P)
709 |
-
|
16.7
|
0.6
|
-
|
| n7 |
bend. |
642.2 |
650.5d |
245.1 |
6.4 |
177c/318a |
| n6
|
str.
|
(R)
609
(P)
600 |
602b
|
13.3
|
0.4
|
1.4b
|
| n8 |
bend. |
500.9 |
501d |
19.3 |
0.5 |
7.4c/55a |
| n9 |
bend. |
461.1 |
462.9d |
1.6 |
0.3 |
2c/0.8a |
| n10 |
bend. |
Out
of range |
254d |
- |
- |
27c/43a |
| n11 |
bend. |
Out
of range |
106.8d |
- |
- |
0.8c/0.4a |
References :
Y. Benilan, A. Jolly, Y.
Trolez, F. Raulin, J.-C. Guillemin : Infrared band
intensities of cyanobytadyine (HC5N) between 400 and 4000 cm-1.
Journal
of Molecular Spectroscopy, 245,
109-114 (2007)
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.
c A. Scemama, P. Chaquin,
M-C. Gazeau, Y. Bénilan, J. Phys. Chem. A 106(15) (2002) 3828-3837.
d C. Degli Esposti, L.
Bizzocchi, P. Botschwina, K.M.T. Yamada, G. Winnewisser, S. Thorwirth, P. Forster,
J. Mol. Spectrosc. 230 (2005) 185-195.