Titan's spectroscopic database

 

Positions and intensities of the strongest bands of diacetylene : C4H2 

 

Absolute Intensity (cm-2atm-1) at 298 K

 

Mode

Vibration

Position (cm-1)

This work

Koops a (1984)

Khlifi b (1995)

n4

CH stretch.

3332.8

476

556 24

491 12

n5

CC stretch.

2019.8

7.1

7.6 0.4

7.4 0.2

n6+n8

Comb.

1240.7

169.0

-

172.1 4

n7+n9

Comb.

701.0

10.3

-

11.6 0.4

n8

CCH bend.

628.0

563.2 23

703.6 49

439.9 11

n9

CCC bend.

220.1

60.7 2.7

25.3 1.2

-

aconverted from km/mol to cm-2.atm-1 at 298 K

bconverted from T =300 K to T=298 K

References :

KHLIFI M, PAILLOUS P, DELPECH C, NISHIO M, BRUSTON P, RAULIN F: ABSOLUTE IR BAND INTENSITIES OF DIACETYLENE IN THE 250-4300 CM(-1) REGION - IMPLICATIONS FOR TITAN ATMOSPHERE
JOURNAL OF MOLECULAR SPECTROSCOPY 174 (1): 116-122 NOV 1995

KOOPS T, VISSER T, SMIT WM: THE HARMONIC FORCE-FIELD AND ABSOLUTE INFRARED INTENSITIES OF DIACETYLENE
JOURNAL OF MOLECULAR STRUCTURE 125 (3-4): 179-196 1984

A. Jolly, L. Manceron, F. Kwabia-Tchana, Y. Benilan, M-C. Gazeau : Revised infrared bending mode intensities for diacetylene (C4H2): application to Titan, Planetary and Space Sciences 97, 60-64 (2014).