Temperature and pressure dependent product distribution of the addition of CN radicals to C2H4

被引：17

作者：

Vereecken, L ^{[1
]}

De Groof, P ^{[1
]}

Peeters, J ^{[1
]}

机构：

[1] Univ Louvain, Dept Chem, B-3001 Louvain, Belgium

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2003年 / 5卷 / 22期

关键词：

D O I：

10.1039/b306803j

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：

The temperature and pressure dependent product distribution of the C2H4+ CN reaction is investigated using RRKM-master equation analyses over extended temperature and pressure ranges, including an extended error analysis of the predicted yields. At low pressures, formation of C2H3CN+ H is the dominant product, while at higher pressures above 10(5) Pa collisional stabilization of C2H4CN radicals becomes the major channel. Some other products are formed in the fall-off region and in high-temperature conditions, but their summed contribution never exceeds 20%. The formation of HCN+ C2H3 from the title reaction was investigated in detail, both by direct H-abstraction and an addition - elimination mechanism. No significant HCN + C2H3 formation is predicted at temperatures below 1000 K, in contrast to an earlier experimental investigation; this discrepancy is discussed.

引用

页码：5070 / 5076

页数：7

共 27 条

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