| Titan's spectroscopic database |
Positions and intensities of the strongest bands of acetonitrile
(Ethanenitrile,
Methyl Cyanide) : CH3CN
Absolute
Intensities (atm-1cm-2) at 296 K |
|||||
| Bands |
Vibration |
Position (cm-1) |
Koga
(1984) |
Nishio (1995) |
Rinsland
(2005) * |
| n5 |
C-H
stretch |
(R)
3041 (Q)
3013 (P)
2985 |
- |
17.4 |
23.6 |
| n1 |
C-H
stretch |
(R)2967 (Q)
2955 (P)
2944 |
|||
| n2+n8 |
(Q)
2622 |
- |
1.6 |
2.02 |
|
n3+n4 |
(Q)
2314 |
10.24 |
8.9 |
8.93 |
|
n2 |
C=N
str. |
(R)2278 (Q)
2267 (P)
2254 |
|||
| n6 |
CH3 stretch |
(R)1464 (Q)
1450 (P)
1422 |
93.51 |
93.6 |
96.4 |
| n7 |
CH3 rot |
(R)1059 (Q)
1042 (P)
1026
|
12.71 |
11.7 |
12 |
n4 |
C-C stretch |
(R)
933 (Q)
920 (P)
909 |
5.04 |
4.8 |
4.79 |
2n8 |
(R
)727 (Q)
718 (P)
702 |
8.5 |
6.2 |
6.52 |
|
| n8 |
CCN bend. |
(Q)
363 |
6.82 |
4.4 |
- |
* converted from cm.molecule-1
References :
M. Nishio, P. Paillous, M. Khlifi, P. Bruston
& F. Raulin
Infrared Spectra of Gaseous Ethanenitrile in the 3500-250 cm-1 Region: Absolute
Band Intensity and Implications for the Atmosphere of Titan, Spectrochimica
Acta 51A, 617-622, 1995.
Y. Koga, S. Kondo, S. Saeki and
W.B. Person
Infrared intensities of acetonitrile, J Chem Phys 88 (1984), pp. 3152–3157.
Curtis P. Rinsland, Steven W. Sharpe and Robert L. Sams
Temperature-dependent infrared absorption cross sections of methyl cyanide (acetonitrile)
Journal of Quantitative Spectroscopy and Radiative Transfer, Volume 96, Issue
2, 1 December 2005, Pages 271-280