The affinity energies of Li+ attachment to CH3-nFnO2(n=0-3), calculated by DFT and ab intio are all large which suggest that CH3-nFnO2-Li+ complexes could be possibly detected as stable species in gas phase by ion attachment mass spectrometry.

• 根据相关的文献报道,我们运用从头算分子轨道理论和密度泛涵理论计算出的锂离子相对于CH3-nFnO2的亲和能都能够表明络合物CH3-nFnO2-Li+在气态下能以一种稳定的物种形态被离子附着质谱检测。