UV Photodissociation of Ethylamine Cation: A Combined Experimental and Theoretical Investigation

被引:9
|
作者
Gichuhi, Wilson K. [1 ]
Mebel, A. M. [2 ]
Suits, Arthur G. [1 ]
机构
[1] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA
[2] Florida Int Univ, Dept Chem & Biochem, Miami, FL 33199 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2010年 / 114卷 / 51期
基金
美国国家科学基金会;
关键词
QUADRATIC CONFIGURATION-INTERACTION; COUPLED-CLUSTER SINGLES; TITANS UPPER-ATMOSPHERE; DISSOCIATION DYNAMICS; ELECTRONIC-STRUCTURE; MASS-SPECTROMETRY; IONIZED MOLECULES; ION; PHOTOELECTRON; METHYLAMINE;
D O I
10.1021/jp107913p
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
Direct current (DC) slice imaging of state-selected ions is combined with high-level ab initio calculations to give insight into reaction pathways, dynamics, and energetics for ethylamine cation photodissociation at 233 nm. These reaction pathways are of interest for understanding the rich chemistry of Titan's ionosphere recently revealed by the Cassini mission. The result for the H-loss product has a bimodal translational energy distribution, indicating two distinct H-loss pathways: these are assigned to triplet CH3CH2NH+ product ions and the singlet CH3CHNH2+ species. The distribution shows a modest fraction of energy available in translation and is consistent with barrierless dissociation from the ground state. HCNH+ formation is observed as the dominant channel and exhibits a bimodal translational energy distribution with the faster component depicting a significant angular anisotropy. This suggests a direct excited-state decay pathway for this portion of the distribution. We have also observed the H + H-2 loss product as a minor secondary dissociation channel, which correlates well with the formation of CH2CNH2+ ion with an exit barrier.
引用
收藏
页码:13296 / 13302
页数:7
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