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首页> 外文期刊>The Journal of Chemical Physics >Communication: Photodissociation of N_2O - Frustrated NN bond breaking causes diffuse vibrational structures
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Communication: Photodissociation of N_2O - Frustrated NN bond breaking causes diffuse vibrational structures

机译:通讯:N_2O的光解离-沮丧的NN键断裂导致分散的振动结构

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摘要

The photodissociation of N_2 O is studied by wave packet calculations using a global three-dimensional potential energy surface for the first excited A1 ′ state. It is shown that the weak vibrational structures of the absorption cross section are caused by large-amplitude NN stretch motion, combined with strong excitation of the bend as well as the O-NN stretch. Weakening of the NN bond toward the N+NO channel is the necessary prerequisite.
机译:N_2 O的光解离是通过波包计算研究的,其中使用了第一激发A1'态的全局三维势能面。结果表明,吸收截面的弱振动结构是由大幅度的NN拉伸运动,弯曲的强烈激发以及O-NN拉伸引起的。朝N + NO通道弱化NN键是必要的先决条件。

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