Photodissociation dynamics of allyl bromide at 234, 265, and 267 nm.
Photodissociation dynamics of allyl bromide at 234, 265, and 267 nm.
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DOI：
10.1063/1.2360280
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发表时间：
2006-10
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影响因子：
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通讯作者：
L. Ji;Ying Tang;Rongshu Zhu;Zhengrong Wei;Bing Zhang
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作者：
L. Ji;Ying Tang;Rongshu Zhu;Zhengrong Wei;Bing Zhang
研究了烯丙基溴在234、265和267 nm处的光解动力学。利用二维光碎片离子速度成像技术结合[2+1]共振增强多光子电离方案，获得了Br*（2 P1/2）和Br（2 P3/2）原子的角能量和平动能量分布. Br片段显示双峰平移能分布，而Br* 片段显示一个平移能分布。用从头算组态相互作用方法计算了激发态的垂直激发能和混合电子性质。推测高动能溴原子是由1（pipi*）或1（pisigma*）态预解离到排斥1（nsigma*）态，以及由3（nsigma*）和3（pisigma*）态直接解离而成，而低动能溴原子则是由最低的3（pipi*）态内部转化到3（pisigma*）态.
The photodissociation dynamics of allyl bromide was investigated at 234, 265, and 267 nm. A two-dimensional photofragment ion velocity imaging technique coupled with a [2+1] resonance-enhanced multiphoton ionization scheme was utilized to obtain the angular and translational energy distributions of the nascent Br* (2P1/2) and Br (2P3/2) atoms. The Br fragments show a bimodal translational energy distribution, while the Br* fragments reveal one translational energy distribution. The vertical excited energies and the mixed electronic character of excited states were calculated at ab initio configuration interaction method. It is presumed that the high kinetic energy bromine atoms are attributed to the predissociation from 1(pipi*) or 1(pisigma*) state to the repulsive 1(nsigma*) state, and to the direct dissociation from 3(nsigma*) and 3(pisigma*) states, while the low kinetic energy bromine atoms stem from internal conversion from the lowest 3(pipi*) state to 3(pisigma*) state.