离子-分子反应中激光相位诱导的电位表面倾斜度变化和束缚态产生:在Na++CH4中的应用

H. Talaat, El-Wallid S. Sedik, M. T. E. Kamal
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摘要

通过极化率和偶极矩贡献的激光离子-分子反应相互作用导致沿反应路径的势能面相交,极化率在(s=4.5 a.u)处最大,偶极子在(s=1 a.u)处发生变化,定义了虚过渡态。在波长λ=20.6μm,强度I=5×10 W/cm至I=5×10 W/cm的情况下,我们将使用规范表示来证明,激光诱导势能面可以沿着反应路径的高度减小,并有可能在虚拟过渡态中产生束缚态。我们对Na H + CH3 +Na + CH4反应的这种效应进行了说明,该反应采用倒莫尔斯形式(没有势垒),使用从头算方法计算了反应路径,离子分子反应的电学性质。188 Hassan Talaat, El-Wallid S. Sedik和M. Tag El-Din Kamal
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Variation of potential surface inclination and bound state creation induced by laser phase along the reaction path in ion-molecule reactions: application to Na++CH4
Laser ion-molecule reaction interaction through both polarizability and dipole moment contribution leads to intersection in potential energy surface along the reaction path, polarizability is maximum at (s=4.5 a.u.) and dipole changes at (s=1 a.u.) defining a virtual transition state. We will show here by using gauge representation for wave length λ=20.6μm, Intensity I=5×10 W/cm till I=5×10 W/cm, that the laser induced potential energy surface can decrease in height along the reaction path with possibility of creating bound states in the virtual transition state. We illustrate such effects for the Na H + CH3 +  Na + CH4 reaction which takes the form of inverted Morse (without a barrier) using ab-initio methods for calculating the reaction path, electric properties of the ion-molecule reaction. 188 Hassan Talaat, El-Wallid S. Sedik and M. Tag El-Din Kamal
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