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Geometry optimized structures of (a) [BPy][BF4], (b) dibenzothiophene (DBT), dibenzothiophene sulfone (DBTO2), (c,e) ([BPy][BF4])⊃DBT, and (d,f) ([BPy][BF4])⊃DBTO2 in hexane. Color code: carbon = gray; hydrogen = white; nitrogen = blue; oxygen = red; sulfur = yellow, boron = magenta; fluorine = green.
