论文部分内容阅读
Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J.Chem.Phys.121 9343],the effect of the reagent vibration on vector correlation of the ion-molecule reactions D～-+H_2 and H～-+D_2 is studied at a collision energy of 35.7 kcal/mol.Four generalized polarization-dependent differential cross sections (2π/σ)(dσ 00 /dωt),(2π/σ)(dσ 20 /dωt),(2π/σ)(dσ 22+ /dωt),and (2π/σ)(dσ 21 /dωt) are presented in the centre-of-mass reference frame,separately.At the same time,the effects on the product angular distributions P (θr),P (φr) and P (θr,φr) of the title reactions are also analysed.The calculated results show that the scattering tendencies of the product HD,the alignment and the orientation of j sensitively depend on reagent molecule vibration.
Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda AN and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D ~ - + H 2 and H ~ - D 2 are studied at a collision energy of 35.7 kcal / mol. Generalized polarization-dependent differential cross sections (2π / σ) (dσ 00 / dωt), (2π / σ) (2π / σ) (dσ 22+ / dωt), and (2π / σ) (dσ 21 / dωt) are presented in the center-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P (θr), P (φr) and P (θr, φr) of the title reactions are also analyzed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j sensitively depend on reagent molecule vibration.