STERIC HINDRANCE CAN BE PROBED VIA THE DEPENDENCE OF THE REACTIVITY ON REAGENT ROTATION - O+HCL

被引：25

作者：

KORNWEITZ, H ^{[1
]}

PERSKY, A ^{[1
]}

SCHECHTER, I ^{[1
]}

LEVINE, RD ^{[1
]}

机构：

[1] HEBREW UNIV JERUSALEM,FRITZ HABER RES CTR MOLEC DYNAM,IL-91904 JERUSALEM,ISRAEL

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 06期

关键词：

D O I：

10.1016/0009-2614(90)85636-Q

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：

Kinematic considerations imply that the steric hindrance due to a "bulky" group can be directly probed using rotationally excited reactants. At typical collision and angular velocities, a shadow due to the bulky group restricts entry into the cone of acceptance for rotationally excited reactants. The conclusion is discussed for the realistic case where the anisotropy of the long range potential can reorient the incoming trajectories. Exact and approximate (reactant jz conserving) classical trajectory computations for the O+HCl and O+DCl reactions, on two different potential energy surfaces are used as an illustration. © 1990.

引用

页码：489 / 496

页数：8

共 38 条

[1] EFFECT OF ROTATION ON THE REACTIVITY OF THE D+H2(V=1)-]DH+H SYSTEM AT TRANSLATIONAL ENERGIES 0.25, 0.35 AND 0.45 EV [J].

AOIZ, FJ ;

HERRERO, VJ ;

SAEZ, V .

CHEMICAL PHYSICS LETTERS, 1989, 161 (03) :270-276

[2] ALIGNMENT DUE TO LONG-RANGE INTERMOLECULAR FORCES CAN ENHANCE REACTIVE ASYMMETRY [J].

BERNSTEIN, RB ;

LEVINE, RD .

JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (05) :1687-1688

[3]

BERNSTEIN RB, 1982, CHEM DYNAMICS VIA MO

[4] CROSSED-BEAM STUDY OF REACTIVE ASYMMETRY OF ORIENTED METHYL IODIDE MOLECULES WITH RUBIDIUM [J].

BEUHLER, RJ ;

BERNSTEIN, RB .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (12) :5305-+

[5]

BROONENBERG CA, 1984, CHEM PHYS LETT, V108, P67

[6] A CLASSICAL TRAJECTORY STUDY OF THE REACTION BE + HF(V,J)-]BEF(V'J') + H IN 3 DIMENSIONS [J].

CHAPMAN, S .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (01) :262-279

[7] ORIENTATIONAL OPACITY FUNCTION FOR CH3I+RB REACTIVE BACKSCATTERING - THE STERIC CONE OF NONREACTION [J].

CHOI, SE ;

BERNSTEIN, RB .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) :4463-4469

[8] MOLECULAR-BEAM REACTION OF K WITH HCL - EFFECT OF ROTATIONAL STATE OF HCL [J].

DISPERT, HH ;

GEIS, MW ;

BROOKS, PR .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) :5317-5319

[9] A SIMPLE KINETIC-THEORY MODEL OF REACTIVE COLLISIONS OF RIGID NONSPHERICAL MOLECULES [J].

EVANS, GT ;

SHE, RSC ;

BERNSTEIN, RB .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (05) :2258-2266

[10]

GROTE W, 1988, SELECTIVITY CHEM REA

← 1 2 3 4 →