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.

 
  • 根據相關(guān)的文獻報道,我們運用從頭算分子軌道理論和密度泛涵理論計算出的鋰離子相對于CH3-nFnO2的親和能都能夠表明絡(luò )合物CH3-nFnO2-Li+在氣態(tài)下能以一種穩定的物種形態(tài)被離子附著(zhù)質(zhì)譜檢測。
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