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. 31523157.

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

 

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