Reactions of Negative Ions with ClN3 at 300 K

被引：1

作者：

Eyet, Nicole ^{[1
,2
,3
]}

Freel, Keith ^{[1
,4
]}

Heaven, Michael C. ^{[4
]}

Viggiano, A. A. ^{[1
]}

机构：

[1] USAF, Res Lab, Space Vehicles Directorate, Hanscom AFB, MA 01731 USA

[2] St Anselm Coll, Dept Chem, Manchester, NH 03102 USA

[3] Boston Coll, Inst Sci Res, Chestnut Hill, MA 02167 USA

[4] Emory Univ, Dept Chem, Atlanta, GA 30322 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2010年 / 114卷 / 25期

关键词：

CHLORINE AZIDE; ENERGY; MOLECULES; FORMULA; LASER;

D O I：

10.1021/jp102951z

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 reactivity of ClN3 with 17 negative ions has been investigated at 300 K. The electron affinity (EA) of ClN3 was bracketed to be between that of NO2 and N-3, giving EA(ClN3) = 2.48 +/- 0.20 eV, in agreement with an electronic structure calculation. Reaction rate constants and product ion branching ratios were measured. In nearly all cases the major product of the reaction was chloride ions. Charge transfer, N-3(-) production, and 0 atom incorporation is also observed. DFT calculations of stable complexes and transition states are presented for two typical ions. Mechanistic details are discussed in terms of reaction coordinate diagrams.

引用

页码：6832 / 6836

页数：5

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