Table 5. Energy Decomposition Analysis for the Ring-Opening Reaction of THF by Dimethylxanthene Backbone G13/P-TS^a,b.

entry	B/P-TS	Al/P-TS	Ga/P-TS	In/P-TS	Tl/P-TS
ΔEACTb,c	13.9	–3.9	14.6	17.8	25.0
ΔEDEF,THF	46.7	28.8	38.9	40.9	44.1
ΔEDEF,G13/P-Rea	34.8	35.1	37.5	39.0	41.3
ΔEINT	–66.6	–67.8	–61.8	–62.1	–60.4

^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,G13/P-Rea} + ΔE_INT.