. 2023 Aug 10;62(34):14028–14043. doi: 10.1021/acs.inorgchem.3c02075

Table 6. Free Energy Differences (ΔG in kJ mol^–1 at 298.15 K) between the Open and Closed Isomers of Stiboranes 6, 6O, 6S, and 6Se^a.

compound	vacuum	chloroform
6	–26	–25
6O	–49	–37
6S	–10	–5
6Se	–10	–5

Defined as ΔG = G(closed) – G(open) and calculated at the PBE0(d3)/def2-TZVP:sdd(Fe,Sb) level of theory. Solvent effects have been approximated using the PCM model.

Table 6. Free Energy Differences (ΔG in kJ mol–1 at 298.15 K) between the Open and Closed Isomers of Stiboranes 6, 6O, 6S, and 6Sea.

Table 6. Free Energy Differences (ΔG in kJ mol^–1 at 298.15 K) between the Open and Closed Isomers of Stiboranes 6, 6O, 6S, and 6Se^a.