| Titan's spectroscopic database |
Positions and intensities of the fundamental bands of cyanoacetylene (HC3N)
Absolute Intensities
(cm-2.atm-1) at 296 K |
||||||
| Modes |
Vibration |
Position (cm-1) |
Jolly et al. (2007) |
Uyemura
(1974,1982)* |
Khlifi
(1990)** |
Khlifi (1992)*** |
| n1 |
C-H
str. |
(R) 3334 (P) 3318 |
249.4±12.0 |
248.7±37 |
285±15 |
253
- 215 |
| n2 |
C=C str. |
(R) 2279 (P) 2262 |
40.7±2.2 |
40.8±6.1 |
39.8±1.1 |
39-32 |
| n3 |
C=N
str. |
(R) 2084 (P) 2068 |
8.0±1.0 |
7.95±1.2 |
8.8±0.3 |
8.5 |
n4
+(n5+n7) |
C-C
str. |
878 |
0.68±0.03 |
- |
0.8±0.1 |
0.8 |
| n5 |
bend. |
663.4 |
268.6±7.0 |
281±41 |
207±9 |
224
- 249 |
| n6 |
bend. |
498.7 |
39.0±0.6 |
32.9±5 |
32.1±1.7
|
37
- 52 |
| n7 |
bend. |
223.5 |
- |
0.73±0.11 |
- |
- |
* converted from km/mol to cm-2.atm-1
** converted from T =308 K to T=296 K
*** values reported correspond to measurements at 225 K and 325 K respectively
References :
A. Jolly, Y. Benilan, and A. Fayt : New infrared integrated intensities for HC3N and extensive line list for the n5 and n6 bending modes. Journal of Molecular Spectroscopy, 242, 4654 (2007)
Uyemura, M., Maeda, S., The Infrared intensities
of stretching fundamentals in gaseous and crystalline cyanoacetylene. Bull.
Chem. Soc. Japan, 1974. 47(12): p. 2930-2935.
Uyemura, M., Degushi, S., Nakada, Y. and Onaka, T, Infrared Intensities of bending
fundamentals in gaseous HCCCN and DCCCN. Bull. Chem. Soc. Japan, 1982. 55(2):
p. 384-388.
Khlifi, M., et al., Absolute intensity
of the IR bands of propynenitrile. J. Mol. Spectrosc., 1990. 143(209-211).
Khlifi, M., F. Raulin, and M. Dang-Nhu, Integrated band intensity versus temperature
for the n1, n2, n5, and n6 bands of cyanoacetylene. J. Mol. Spectrosc., 1992.
155: p. 77-83.
Integrated Intensities for the combination and overtone bands