Research output: Contribution to journal › Article › peer-review
Collision-induced double transition effects in the 3 nu(3) CO2 band wing region. / Filippov, NN; Bouanich, JP; Boulet, C; Tonkov, MV; LeDoucen, R; Thibault, F.
In: Journal of Chemical Physics, Vol. 106, No. 6, 08.02.1997, p. 2067-2072.Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Collision-induced double transition effects in the 3 nu(3) CO2 band wing region
AU - Filippov, NN
AU - Bouanich, JP
AU - Boulet, C
AU - Tonkov, MV
AU - LeDoucen, R
AU - Thibault, F
PY - 1997/2/8
Y1 - 1997/2/8
N2 - IR absorption beyond the head of the 00(0)3-00(0)0 (3 nu(3)) band of CO2 near 7000 cm(-1) has been analyzed. This absorption is found to consist of two comparable intensity contributions, namely, the allowed band wing and a collision-induced absorption (CIA) band. The band wing profile has been described by using a non-Markovian theory and the rotational perturbation densities for CO2-CO2 collisions, which was previously calculated from the intensity distribution in the high-frequency wing of the 00(0)1-00(0)0 CO2 band. The CIA component has a typical shape of CO2 CIA bands with the maximum at the double transition (00(0)1+00(0)2)-(00(0)0+00(0)0) frequency. The integrated binary coefficient of this CIA band was estimated to be B-2=(1.0+/-0.6)x10(-5) cm(-2) Amagat(-2). The CIA spectral moment theory has been used for the intensity calculation, which takes into account for the first time the collision-induced vibrational force field in CO2 pairs. By comparing the calculated and measured intensity for the double transition, the polarizability anisotropy matrix element for the 2 nu(3) band has been estimated as beta(20)=0.26+/-0.08 a.u., value in reasonable agreement with an independent estimation from previous results of polarizability matrix elements of CO2. (C) 1997 American Institute of Physics.
AB - IR absorption beyond the head of the 00(0)3-00(0)0 (3 nu(3)) band of CO2 near 7000 cm(-1) has been analyzed. This absorption is found to consist of two comparable intensity contributions, namely, the allowed band wing and a collision-induced absorption (CIA) band. The band wing profile has been described by using a non-Markovian theory and the rotational perturbation densities for CO2-CO2 collisions, which was previously calculated from the intensity distribution in the high-frequency wing of the 00(0)1-00(0)0 CO2 band. The CIA component has a typical shape of CO2 CIA bands with the maximum at the double transition (00(0)1+00(0)2)-(00(0)0+00(0)0) frequency. The integrated binary coefficient of this CIA band was estimated to be B-2=(1.0+/-0.6)x10(-5) cm(-2) Amagat(-2). The CIA spectral moment theory has been used for the intensity calculation, which takes into account for the first time the collision-induced vibrational force field in CO2 pairs. By comparing the calculated and measured intensity for the double transition, the polarizability anisotropy matrix element for the 2 nu(3) band has been estimated as beta(20)=0.26+/-0.08 a.u., value in reasonable agreement with an independent estimation from previous results of polarizability matrix elements of CO2. (C) 1997 American Institute of Physics.
KW - MOMENTS
KW - SHAPE
U2 - 10.1063/1.473140
DO - 10.1063/1.473140
M3 - статья
VL - 106
SP - 2067
EP - 2072
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 6
ER -
ID: 41410520