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

249.412.0

248.737
28515
253 - 215

n2

C=C str.

(R) 2279

(P) 2262

40.72.2

40.86.1
39.81.1
39-32
n3
C=N str.

(R) 2084

(P) 2068

8.01.0
7.951.2
8.80.3
8.5
n4 +(n5+n7)
C-C str.
878
0.680.03
-
0.80.1
0.8

n5

bend.

663.4

268.67.0

28141
2079
224 - 249

n6

bend.

498.7

39.00.6

32.95
32.11.7
37 - 52

n7

bend.

223.5

-

0.730.11
-
-

* 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

 

 

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