On the isotope effect in F+HD reaction at ultracold temperatures

被引:39
作者
Balakrishnan, N
Dalgarno, A
机构
[1] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA
[2] Harvard Smithsonian Ctr Astrophys, Inst Theoret Atom & Mol Phys, Cambridge, MA 02138 USA
关键词
D O I
10.1021/jp022654v
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
Isotope branching in the F + HD reaction is investigated at ultracold temperatures. It is found that in the limit of zero temperatures, the rate coefficient for HF formation in the F + HD (v = 0, j = 0) reaction is a factor of 5.5 greater than that of DF formation. The difference is attributed to the more efficient tunneling of the lighter atom. For HD molecules initially in the j = I excited rotational level, a clear preference is seen for chemical reaction leading to HF and DF products with an HF/DF branching ratio of 5.2 rather than for nonreactive rotational quenching.
引用
收藏
页码:7101 / 7105
页数:5
相关论文
共 42 条
[31]   Resonance-mediated chemical reaction:: F+HD→HF+D [J].
Skodje, RT ;
Skouteris, D ;
Manolopoulos, DE ;
Lee, SH ;
Dong, F ;
Liu, KP .
PHYSICAL REVIEW LETTERS, 2000, 85 (06) :1206-1209
[32]   ABC: a quantum reactive scattering program [J].
Skouteris, D ;
Castillo, JF ;
Manolopoulos, DE .
COMPUTER PHYSICS COMMUNICATIONS, 2000, 133 (01) :128-135
[33]  
Soldán P, 2002, PHYS REV LETT, V89, DOI 10.1103/PhysRevLett89.153201
[34]   An accurate multireference configuration interaction calculation of the potential energy surface for the F+H-2->HF+H reaction [J].
Stark, K ;
Werner, HJ .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (17) :6515-6530
[35]   Theoretical calculations for the prereaction processes of the D ••• HF and H ••• DF van der Waals molecules [J].
Takayanagi, T ;
Wada, A .
CHEMICAL PHYSICS LETTERS, 2001, 338 (2-3) :195-200
[36]   van der Waals resonances in cumulative reaction probabilities for the F+H2, D2, and HD reactions [J].
Takayanagi, T ;
Kurosaki, Y .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (20) :8929-8934
[37]   CORRECTION [J].
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) :440-440
[39]   Magnetic-field effects in ultracold molecular collisions [J].
Volpi, A ;
Bohn, JL .
PHYSICAL REVIEW A, 2002, 65 (05) :527121-527128
[40]   Magnetic trapping of calcium monohydride molecules at millikelvin temperatures [J].
Weinstein, JD ;
deCarvalho, R ;
Guillet, T ;
Friedrich, B ;
Doyle, JM .
NATURE, 1998, 395 (6698) :148-150