State-to-state rate constant calculations for V-V energy transfer in CO-N2 collisions

被引:16
作者
Kurnosov, A
Cacciatore, M
Billings, GD
机构
[1] Univ Bari, Dept Chem, CNR, IMIP, I-70126 Bari, Italy
[2] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen O, Denmark
[3] Troitsk Inst Innovat & Fus Res, Troitsk 142092, Moscow, Russia
关键词
D O I
10.1021/jp0218239
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
Single and multiquantum vibrational relaxation of low and highly vibrationally excited levels of CO in collisions with N(2) is studied within the semiclassical coupled state method. The dynamics is followed using ab initio interaction potential for the short-range interaction and updated multipole expansions for the long range interaction. Compared to the previous study, a better agreement with the available experimental rate constants is obtained, particularly in the critical low temperature regime down to T = 80 K. Remarkable corrections are found for rate constants for single and multiquantum transitions between highly excited CO and N(2) molecules.
引用
收藏
页码:2403 / 2410
页数:8
相关论文
共 33 条
[1]   VIBRATIONAL-ENERGY EXCHANGE BETWEEN CO AND THE ISOTOPES OF N-2 BETWEEN 300-K AND 80-K [J].
ALLEN, DC ;
SIMPSON, CJSM .
CHEMICAL PHYSICS, 1980, 45 (02) :203-211
[2]   Semiclassical wave packet study of V-V energy transfer in highly vibrationally excited CO molecules [J].
Balakrishnan, N ;
Billing, GD .
CHEMICAL PHYSICS, 1996, 204 (01) :77-87
[3]   Efficient pulsed first-over-tone CO laser operating within the spectral range of 2.5-4.2 μm [J].
Basov, NG ;
Hager, GD ;
Ionin, AA ;
Kotkov, AA ;
Kurnosov, AK ;
McCord, JE ;
Napartovich, AP ;
Seleznev, LV ;
Turkin, NG .
IEEE JOURNAL OF QUANTUM ELECTRONICS, 2000, 36 (07) :810-823
[4]  
BILLING GD, 1978, CHEM PHYS, V30, P387, DOI 10.1016/0301-0104(78)87010-4
[5]  
BILLING GD, 1984, COMPUT PHYS REP, V1, P237, DOI 10.1016/0167-7977(84)90006-6
[6]   VIBRATION-VIBRATION ENERGY-TRANSFER IN CO COLLIDING WITH N-14(2), N-14 N-15 AND N-15(2) [J].
BILLING, GD .
CHEMICAL PHYSICS, 1980, 50 (02) :165-173
[7]   QUADRUPOLE-MOMENT OF CO, N2, AND NO+] [J].
BILLINGSLEY, FP ;
KRAUSS, M .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2767-2772
[8]   ELECTRIC FIELD-GRADIENT-INDUCED BIREFRINGENCE IN N-2, C2H6, C3H6, CL-2, N2O AND CH3F [J].
BUCKINGHAM, AD ;
GRAHAM, C ;
WILLIAMS, JH .
MOLECULAR PHYSICS, 1983, 49 (03) :703-710
[9]   SEMI-CLASSICAL CALCULATION OF VV AND VT RATE COEFFICIENTS IN CO [J].
CACCIATORE, M ;
BILLING, GD .
CHEMICAL PHYSICS, 1981, 58 (03) :395-407
[10]  
Cacciatore M, 1996, NATO ADV SCI INST SE, V482, P21