Differential cross sections and Regge trajectories for the F+H2→HF+H reaction

被引:55
作者
Sokolovski, D [1 ]
Castillo, JF
机构
[1] Queens Univ Belfast, Dept Appl Math & Theoret Phys, Div Theoret & Computat Phys Res, Belfast BT7 1NN, Antrim, North Ireland
[2] Univ Complutense Madrid, Fac Quim, Dept Quim Fis, E-28040 Madrid, Spain
关键词
D O I
10.1039/a907718i
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We analyse reactive angular scattering in the F+H-2 --> HF + H reaction using accurate S-matrix elements. With the help of the Pade approximation we obtain positions of the resonance poles of the S-matrix in the complex planes of both energy (E) and total angular momentum (J). We reconstruct the Regge trajectories and correlate the Regge poles affecting angular scattering at higher energies with a resonance pole at J = 0. Even though the lifetime of the resonance is short, the lifeangle of the corresponding Regge state is large enough to enhance forward scattering.
引用
收藏
页码:507 / 512
页数:6
相关论文
共 20 条
[1]  
[Anonymous], 1975, Essentials of Pade Approximations
[2]   Spin-orbit effects in quantum mechanical rate constant calculations for the F+H2→HF+H reaction [J].
Aoiz, FJ ;
Bañares, L ;
Castillo, JF .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (09) :4013-4024
[3]   THE F+HD-]DF(HF)+H(D) REACTION REVISITED - QUASI-CLASSICAL TRAJECTORY STUDY ON AN AB-INITIO POTENTIAL-ENERGY SURFACE AND COMPARISON WITH MOLECULAR-BEAM EXPERIMENTS [J].
AOIZ, FJ ;
BANARES, L ;
HERRERO, VJ ;
RABANOS, VS ;
STARK, K ;
WERNER, HJ .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (23) :9248-9262
[4]   Ab initio simulation of molecular beam experiments for the F+H-2->HF+H reaction [J].
Aoiz, FJ ;
Banares, L ;
MartinezHaya, B ;
Castillo, JF ;
Manolopoulos, DE ;
Stark, K ;
Werner, HJ .
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (36) :6403-6414
[5]   MOMENTUM-TRANSFER DISPERSION-RELATIONS FOR ELECTRON-ATOM CROSS-SECTIONS [J].
BESSIS, D ;
HAFFAD, A ;
MSEZANE, AZ .
PHYSICAL REVIEW A, 1994, 49 (05) :3366-3375
[6]   Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces [J].
Castillo, JF ;
Hartke, B ;
Werner, HJ ;
Aoiz, FJ ;
Bañares, L ;
Martínez-Haya, B .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (17) :7224-7237
[7]   Quantum mechanical angular distributions for the F+H-2 reaction [J].
Castillo, JF ;
Manolopoulos, DE ;
Stark, K ;
Werner, HJ .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (17) :6531-6546
[9]   PROPERTIES OF REGGE-POLE POSITIONS AND RESIDUES FOR INTER-ATOMIC POTENTIALS [J].
CONNOR, JNL ;
JAKUBETZ, W ;
MACKAY, DC ;
SUKUMAR, CV .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1980, 13 (09) :1823-1837
[10]   REGGE TRAJECTORIES FOR ION-ATOM AND ATOM-ATOM POTENTIALS [J].
CONNOR, JNL ;
DELOS, JB ;
CARLSON, CE .
MOLECULAR PHYSICS, 1976, 31 (04) :1181-1190