Study on Generation of Metal-Fluorides,YbF and PbF
Metal-fluorine(MF)diatomic molecules,such as YbF and PbF,are extensively utilized in precision spec-troscopy and fundamental physics ap-plications.For instance,they are suit-able candidates for the search of elec-tric dipole moments(EDMs)and the investigation of laser cooling systems.Studying how to generate these molecules effectively and productively is of significant importance.In the present work,we focus on the genera-tion of YbF and PbF through chemi-cal reactions involving Yb,Pb atoms ablated from an Yb-,Pb-metal targets and two most commonly used fluorine-containing gases,SF6 and CF4.The reactions are investigated theo-retically using density functional theory(DFT)and experimentally employing the laser-abla-tion/laser-induced fluorescence(LIF)technique to compare the efficiencies of YbF and PbF molecule generation.Computational results suggest that when generating PbF,the use of SF6 as the fluorine gas enhances the yield in comparison to CF4,which is consistent with our ex-perimental results.On the contrary,for YbF,while theoretical calculations similarly advo-cate for SF6 yielding higher yields,the experimental results contradict this conclusion.Fur-thermore,theoretical predictions propose that metal atoms in an excited state can promote the progress of the reaction.
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