. 2023 Feb 9;145(7):4221–4230. doi: 10.1021/jacs.2c12871

Table 2. Key Bond Lengths and Potential and Gibbs Free Energies for the Ambimodal TS, TS1, and the Three TS Interconverting Products TS2, TS3, and TS4 (Interconverting P1–P4, P2–P4, and P3–P4, Respectively) for Reaction J^b.

	B0 [Å]	B1 [Å]	B2 [Å]	B3 [Å]	B4 [Å]	ΔE^‡ [kcal/mol]	ΔG^‡ [kcal/mol]
TS1-J	2.00	2.91	2.97	2.98	3.11	9.5	25.8
TS2-J	1.64	2.53	3.02	3.06	3.00	5.4	23.7
TS3-J	1.61	3.16	2.53	3.16	2.93	5.5	23.2
TS4-J	1.62	3.02	3.02	2.44	3.16	7.8	25.6

Table 2. Key Bond Lengths and Potential and Gibbs Free Energies for the Ambimodal TS, TS1, and the Three TS Interconverting Products TS2, TS3, and TS4 (Interconverting P1–P4, P2–P4, and P3–P4, Respectively) for Reaction Jb.