ASSOCIATION REACTIONS OF NICKEL ATOMS WITH CARBON-MONOXIDE AND ALKENES AT ROOM-TEMPERATURE - BINDING-ENERGY OF NIC2H4

被引:45
作者
BROWN, CE [1 ]
MITCHELL, SA [1 ]
HACKETT, PA [1 ]
机构
[1] NATL RES COUNCIL CANADA,STEACIE INST MOLEC SCI,100 SUSSEX DR,OTTAWA K1A 0R6,ONTARIO,CANADA
关键词
D O I
10.1016/0009-2614(92)85388-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
We report a kinetic study of association reactions of nickel atoms with carbon monoxide, ethene, propene and 1-butene in carbon dioxide buffer gas in the pressure range 1-600 Torr at 296 K. RRKM theory is used together with results of previous ab initio electronic structure calculations to interpret association rate coefficients in terms of binding energies of 1:1 complexes. The binding energy of NiC2H4 at 0 K is estimated as 35.5 +/- 5 kcal mol-1. The role of excited electronic states of the complexes in the association reactions is briefly discussed.
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页码:175 / 181
页数:7
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