Multi-Dimensional Steric Effect for the XeF* (B, C) Formation in the Oriented Xe* (3P2, MJ = 2) + Oriented NF3 Reaction
Multi-Dimensional Steric Effect for the XeF* (B, C) Formation in the Oriented Xe* (3P2, MJ = 2) + Oriented NF3 Reaction
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定向 Xe* (3P2, MJ = 2) 定向 NF3 反应中 XeF* (B, C) 形成的多维空间效应
DOI：
10.1039/c0cp00648c
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
H. Ohoyama
中科院分区：
文献类型：
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作者：
K. Suzuki ,M. Tachikawa;and M. Shiga;H. Ohoyama
研究了XeF ~*（B，C）生成的位阻效应，发现XeF ~*（3 P ~ 2，MJ = 2）~+生成的位阻效应是碰撞架中分子取向和原子取向之间相互构型的函数.在碰撞坐标系中，确定了分子空间不透明度函数与原子轨道排列（LZ′）的函数关系。对于XeF*（B，C）通道，在每个原子轨道排列处观察到在分子轴方向上具有较小反应性的一侧的较大反应性。一个很好的相关性之间的形状的分子空间不透明度功能和分子几何形状的NF 3被确认。XeF*（B，C）通道在分子空间不透明度函数中的LZ′选择性是不同的;在侧向方向上，XeF*（B）通道在LZ′ = 0时是有利的，而XeF*（C）通道在LZ′ = 0时是有利的。|LZ′| = 1。相反，在分子轴方向上，XeF*（B）通道有利，|LZ′| = 1，而XeF*（C）通道在LZ′ = 0时是有利的。我们提出了XeF*（B，C）在~（3 P2）+NF_3反应中形成的碰撞诱导鱼叉机制.
Steric effect for the XeF* (B, C) formations in the oriented Xe* (3P2, MJ = 2) + oriented NF3 reaction has been observed as a function of the mutual configuration between the molecular orientation and the atomic orientation in the collision frame. Molecular steric opacity function has been determined as a function of the atomic orbital alignment (LZ′) in the collision frame. The larger reactivity at the side with the smaller reactivity at the molecular axis direction is observed for the XeF* (B, C) channels at each atomic orbital alignment. A good correlation between the shape of the molecular steric opacity function and the molecular geometry of NF3 is recognized. The LZ′ selectivity in the molecular steric opacity function is different between the XeF* (B, C) channels; in the sideways direction, the XeF* (B) channel is favorable at LZ′ = 0, while the XeF* (C) channel is favorable at |LZ′| = 1. In contrast, at the molecular axis direction, the XeF* (B) channel is favorable at |LZ′| = 1, while the XeF* (C) channel is favorable at LZ′ = 0. We propose the collision-induced harpoon mechanism for the XeF* (B, C) formation in the Xe* (3P2) + NF3 reaction.