Author/Authors :
Garau، نويسنده , , Carolina and Frontera، نويسنده , , Antonio and Quiٌonero، نويسنده , , David and Ballester، نويسنده , , Pablo B. Costa، نويسنده , , Antoni and Deyà، نويسنده , , Pere M.، نويسنده ,
Abstract :
A complete orbital analysis of two isoelectronic complexes of trifluorobenzene (TFB), TFB ⋯ F− and TFB ⋯ Na+, as models for anion-π and cation-π interactions, respectively, has been performed at the MP2/6-31++G** level of theory. There are important orbital differences between both interactions, which are discussed in detail herein.
