VIBRATIONAL PREDISSOCIATION IN HD-HF

被引:9
作者
ZHANG, DH [1 ]
ZHANG, JZH [1 ]
机构
[1] NYU,DEPT CHEM,NEW YORK,NY 10003
关键词
D O I
10.1016/0009-2614(92)80067-L
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
Total and Partial decay widths are presented for vibrational predissociation of HD-HF for total angular momentum J=0 and for the dissociation process HD-HF(v=1)-->HD(v=1)+HF(v=0), which is the dominant decaying channel. An absorbing boundary condition Green function method is employed in the numerical calculation for the decay width. The lifetime of the complex is determined from our calculation to be about 280 ps which is much smaller than that of D2HF and of H2HF obtained in our previous calculations. The rotational state distribution of the fragments shows that about 77% of the dissociation energy goes into rotations of the fragments with the dominant channel being HD(j=2)+HF(j=0), which accounts for about 70% of the rotation population.
引用
收藏
页码:187 / 190
页数:4
相关论文
共 19 条
[11]   THE INFRARED-SPECTRUM OF D2HF [J].
LOVEJOY, CM ;
NELSON, DD ;
NESBITT, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (12) :7180-7188
[12]   THE APPLICATION OF OPTICAL POTENTIALS FOR REACTIVE SCATTERING - A CASE-STUDY [J].
NEUHAUSER, D ;
BAER, M ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (04) :2499-2505
[13]   A NEW ACCURATE (TIME-INDEPENDENT) METHOD FOR TREATING 3-DIMENSIONAL REACTIVE COLLISIONS - THE APPLICATION OF OPTICAL POTENTIALS AND PROJECTION OPERATORS [J].
NEUHAUSER, D ;
BAER, M .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (06) :3419-3426
[14]   STATE-TO-STATE REACTIVE SCATTERING-AMPLITUDES FROM SINGLE-ARRANGEMENT PROPAGATION WITH ABSORBING POTENTIALS [J].
NEUHAUSER, D .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (11) :7836-7842
[15]   CALCULATION OF THE CUMULATIVE REACTION PROBABILITY VIA A DISCRETE VARIABLE REPRESENTATION WITH ABSORBING BOUNDARY-CONDITIONS [J].
SEIDEMAN, T ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (06) :4412-4422
[16]   MODE-SPECIFIC DECAY WIDTHS IN VIBRATIONAL PREDISSOCIATION OF D2HF [J].
ZHANG, DH ;
ZHANG, JZH ;
BACIC, Z .
CHEMICAL PHYSICS LETTERS, 1992, 194 (4-6) :313-317
[17]   TIME-DEPENDENT TREATMENT OF VIBRATIONAL PREDISSOCIATION WITHIN THE GOLDEN-RULE APPROXIMATION [J].
ZHANG, DH ;
ZHANG, JZH .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (09) :6449-6455
[18]   AN EFFICIENT TIME-DEPENDENT GOLDEN-RULE TREATMENT FOR 3-DIMENSIONAL VIBRATIONAL PREDISSOCIATION OF HEI2 [J].
ZHANG, DH ;
ZHANG, JZH .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (04) :1575-1578
[19]  
ZHANG DH, 1992, IN PRESS J CHEM PHYS, V97