Table 6. Energy Decomposition Analysis of the Ring-Opening Reaction of THF by Dimethylxanthene Backbone Al/G15-Rea.

entry	Al/N-TS	Al/P-TS	Al/As-TS	Al/Sb-TS	Al/Bi-TS
ΔEACTa,b,c	14.9	–3.9	–1.7	–0.2	1.2
ΔEDEF,THF	54.4	28.8	40.7	47.0	57.6
ΔEDEF,Al/G15-Rea	26.2	35.1	27.3	23.8	20.9
ΔEINT	–65.7	–67.8	–69.6	–71.1	–77.3

^aAt the ZORA-B3LYP-D3(BJ)/TZ2P//B3LYP-D3(BJ)/def2-TZVP level.

^bAll in kcal mol^–1.

^cΔE_ACT = ΔE_DEF,THF + ΔE_{DEF, Al/G15-Rea} + ΔE_INT.