. 2020 Jan 29;10(8):4512–4520. doi: 10.1039/c9ra08019h

Computed and measured solution free energies of C₆₀, C₇₀, PC₆₁BM and PC₇₁BM in chloroform, toluene and chlorobenzene^a.

Solvent	Method	C₆₀	C₇₀	Diff. C₇₀–C₆₀	PC₆₁BM	PC₇₁BM	Diff. PC₇₁BM–PC₆₁BM
Chloroform	DFT	−32.1	−37.7	−5.6	−39.7	−45.0	−5.2
Toluene	DFT	−34.0	−39.6	−5.7	−40.0	−45.4	−5.3
Toluene	Exp.	−28.8	−32.8	−3.9	—	—	—
Chlorobenzene	DFT	−35.0	−41.2	−6.1	−43.1	−48.9	−5.8
Chlorobenzene	Exp.	−29.4	—	—	—	—	—

Experimental data from ref. 75. All energies in kcal mol⁻¹.

Computed and measured solution free energies of C60, C70, PC61BM and PC71BM in chloroform, toluene and chlorobenzenea.